[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C25H22ClN3O8S MolecularWeight: 559.97548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C25H22ClN3O8S/c1-36-22-11-8-17(13-23(22)38(34,35)28-12-4-6-16-5-2-3-7-20(16)28)25(31)37-15-24(30)27-19-10-9-18(26)14-21(19)29(32)33/h2-3,5,7-11,13-14H,4,6,12,15H2,1H3,(H,27,30)