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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C([C@@H](C(=C2N)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)CC(C3)(C)C

InChI

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