[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H17N3O7 MolecularWeight: 375.33278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7/c1-25-11-4-6-14(15(8-11)26-2)19-16(21)9-27-17(22)12-5-3-10(20(23)24)7-13(12)18/h3-8H,9,18H2,1-2H3,(H,19,21)