[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-12-8-18(24(27)28)19(29-3)10-17(12)23-20(25)11-30-21(26)15-9-13(2)22-16-7-5-4-6-14(15)16/h4-10H,11H2,1-3H3,(H,23,25)