(4S)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-(1-pyrrolyl)-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-5-keto-7,7-dimethyl-4-(3-nitrophenyl)-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N3C=CC=C3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C22H19N3O4/c1-22(2)11-17(26)20-18(12-22)29-21(24-8-3-4-9-24)16(13-23)19(20)14-6-5-7-15(10-14)25(27)28/h3-10,19H,11-12H2,1-2H3/t19-/m0/s1