phenethyl 2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(3-nitrophenyl)-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O5/c1-20-28(31(35)38-16-15-21-9-4-2-5-10-21)29(23-13-8-14-25(17-23)33(36)37)30-26(32-20)18-24(19-27(30)34)22-11-6-3-7-12-22/h2-14,17-18,24,29-30,32H,15-16,19H2,1H3