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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

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