[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H13ClN2O5 MolecularWeight: 384.76992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H13ClN2O5/c1-11-6-7-12(8-16(11)22(25)26)17(23)10-27-19(24)14-9-18(20)21-15-5-3-2-4-13(14)15/h2-9H,10H2,1H3