5-butyl-1-(4-nitrophenyl)-2-oxidanylidene-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Systemtic Name: 5-butyl-1-(4-nitrophenyl)-2-oxidanylidene-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile Openeye Name: 5-butyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile CAS Name: 5-butyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile IUPAC Name: 5-butyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile Traditional Name: 5-butyl-2-keto-1-(4-nitrophenyl)-4a,9b-dihydropyrid[3,2-b]indole-3-carbonitrile Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H20N4O3/c1-2-3-12-24-19-7-5-4-6-18(19)21-20(24)13-15(14-23)22(27)25(21)16-8-10-17(11-9-16)26(28)29/h4-11,13,20-21H,2-3,12H2,1H3