2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-nitrophenyl)-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H19N3O3/c1-11-14(10-20)17(12-5-4-6-13(7-12)22(24)25)18-15(21-11)8-19(2,3)9-16(18)23/h4-8,17-18,21H,9H2,1-3H3