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Amb1003593

Duplicate ID
Molecule Name N,N'-[quinazoline-2,4-diylbis(4,1-phenylene)]bis(4-nitro-2-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}benzamide)
SmilesO=C(Nc1cc(ccc1C(=O)Nc1ccc(cc1)c1nc2ccccc2c(n1)c1ccc(cc1)NC(=O)c1ccc(cc1NC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-]
Cas Number
InchiKeyBTPINDPYDUDYPZ-YEBYOEETSA-N
InChi InChI=1S/C52H34N10O12/c63-47(27-9-31-5-19-37(20-6-31)59(67)68)55-45-29-39(61(71)72)23-25-42(45)51(65)53-35-15-11-33(12-16-35)49-41-3-1-2-4-44(41)57-50(58-49)34-13-17-36(18-14-34)54-52(66)43-26-24-40(62(73)74)30-46(43)56-48(64)28-10-32-7-21-38(22-8-32)60(69)70/h1-30H,(H,53,65)(H,54,66)(H,55,63)(H,56,64)/b27-9+,28-10+
Formula C52H34N10O12
Molecular weight 990.886
Rings 8
logP 12.7898
PSA 325.46
MR 281.976
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