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Duplicate ID	Amb5277819
Molecule Name	10,10-dimethyl-10a-[(E)-2-(3-nitrophenyl)ethenyl]-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles	O=C1CCN2C(N1)(/C=C/c1cccc(c1)[N+](=O)[O-])C(C)(C)c1c2cccc1
InchiKey	SPOPUIPUHDFQHT-ZRDIBKRKSA-N
InChi	InChI=1S/C21H21N3O3/c1-20(2)17-8-3-4-9-18(17)23-13-11-19(25)22-21(20,23)12-10-15-6-5-7-16(14-15)24(26)27/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)/b12-10+
Formula	C21H21N3O3
Molecular weight	363.41
Rings	4
logP	4.539
PSA	78.16
MR	113.629

Amb731539