[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H19N3O9S MolecularWeight: 453.42316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O9S/c1-28-16-6-3-11(7-17(16)29-2)15(22)10-30-18(23)9-20-31(26,27)12-4-5-13(19)14(8-12)21(24)25/h3-8,20H,9-10,19H2,1-2H3