[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C26H25N3O8S MolecularWeight: 539.557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O8S/c1-17-14-23(29(32)33)24(36-2)15-21(17)27-25(30)16-37-26(31)19-9-11-20(12-10-19)38(34,35)28-13-5-7-18-6-3-4-8-22(18)28/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,27,30)