ethyl (4S)-2-azanyl-4-(4-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-chlorophenyl)-5-keto-7,7-dimethyl-1-(3-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C26H26ClN3O5 MolecularWeight: 495.95474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C([C@@H]1C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C26H26ClN3O5/c1-4-35-25(32)23-21(15-8-10-16(27)11-9-15)22-19(13-26(2,3)14-20(22)31)29(24(23)28)17-6-5-7-18(12-17)30(33)34/h5-12,21H,4,13-14,28H2,1-3H3/t21-/m0/s1