[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O8/c1-25-14-7-5-12(20(23)24)9-13(14)18(22)28-10-17(21)19-11-4-6-15(26-2)16(8-11)27-3/h4-9H,10H2,1-3H3,(H,19,21)