methyl 3-nitro-4-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate Traditional Name: 4-[2-keto-2-(3,4,5-trimethoxyanilino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O9 MolecularWeight: 420.3701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O9/c1-26-15-8-12(9-16(27-2)18(15)28-3)20-17(22)10-30-14-6-5-11(19(23)29-4)7-13(14)21(24)25/h5-9H,10H2,1-4H3,(H,20,22)