[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-(tosylamino)acetyl]amino]acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8S/c1-13-5-7-16(8-6-13)31(28,29)21-10-18(24)20-11-19(25)30-12-17(23)14-3-2-4-15(9-14)22(26)27/h2-9,21H,10-12H2,1H3,(H,20,24)