[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C19H20N4O9S MolecularWeight: 480.4485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O9S/c1-31-16-7-6-14(10-15(16)23(27)28)33(29,30)21-9-8-18(25)32-11-17(24)22-13-4-2-12(3-5-13)19(20)26/h2-7,10,21H,8-9,11H2,1H3,(H2,20,26)(H,22,24)