ethyl (2R,3S)-3-butyl-2-(4-nitrophenyl)-4-oxidanylidene-2,3-dihydroquinoline-1-carboxylate

Systemtic Name: ethyl (2R,3S)-3-butyl-2-(4-nitrophenyl)-4-oxidanylidene-2,3-dihydroquinoline-1-carboxylate Openeye Name: ethyl (2R,3S)-3-butyl-2-(4-nitrophenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate CAS Name: (2R,3S)-3-butyl-2-(4-nitrophenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-butyl-2-(4-nitrophenyl)-4-oxo-2,3-dihydroquinoline-1-carboxylate Traditional Name: (2R,3S)-3-butyl-4-keto-2-(4-nitrophenyl)-2,3-dihydroquinoline-1-carboxylic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C2=CC=CC=C2C1=O)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H]1[C@@H](N(C2=CC=CC=C2C1=O)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-3-5-8-18-20(15-11-13-16(14-12-15)24(27)28)23(22(26)29-4-2)19-10-7-6-9-17(19)21(18)25/h6-7,9-14,18,20H,3-5,8H2,1-2H3/t18-,20-/m0/s1