[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C16H13N3O8 MolecularWeight: 375.28972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O8/c1-26-14-4-2-11(3-5-14)17-15(20)9-27-16(21)10-6-12(18(22)23)8-13(7-10)19(24)25/h2-8H,9H2,1H3,(H,17,20)