3-methyl-3-[3-nitro-4-(phenethylamino)phenyl]-4-oxidanylidene-4-pyrrolidin-1-yl-butanenitrile

Systemtic Name: 3-methyl-3-[3-nitro-4-(phenethylamino)phenyl]-4-oxidanylidene-4-pyrrolidin-1-yl-butanenitrile Openeye Name: 3-methyl-3-[3-nitro-4-(phenethylamino)phenyl]-4-oxo-4-pyrrolidin-1-yl-butanenitrile CAS Name: 3-methyl-3-[3-nitro-4-(phenethylamino)phenyl]-4-oxo-4-(1-pyrrolidinyl)butanenitrile IUPAC Name: 3-methyl-3-[3-nitro-4-(phenethylamino)phenyl]-4-oxo-4-pyrrolidin-1-ylbutanenitrile Traditional Name: 4-keto-3-methyl-3-[3-nitro-4-(phenethylamino)phenyl]-4-pyrrolidino-butyronitrile Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)(C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

Isomeric SMILES

CC(CC#N)(C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

InChI

InChI=1S/C23H26N4O3/c1-23(12-13-24,22(28)26-15-5-6-16-26)19-9-10-20(21(17-19)27(29)30)25-14-11-18-7-3-2-4-8-18/h2-4,7-10,17,25H,5-6,11-12,14-16H2,1H3