ethyl 6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-6-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6/c1-2-30-21(27)17-12-22-18-8-7-14(11-16(18)20(17)26)23-19(25)9-6-13-4-3-5-15(10-13)24(28)29/h3-12H,2H2,1H3,(H,22,26)(H,23,25)/b9-6+