methyl 1-(3-ethoxycarbonyl-5-nitro-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-(3-ethoxycarbonyl-5-nitro-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-(3-ethoxycarbonyl-5-nitro-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-ethoxycarbonyl-5-nitrobenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-(3-carbethoxy-5-nitro-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-3-30-20(25)14-10-13(11-15(12-14)23(27)28)19(24)22-9-5-7-16-17(21(26)29-2)6-4-8-18(16)22/h4,6,8,10-12H,3,5,7,9H2,1-2H3