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

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C17H15N3O8 MolecularWeight: 389.3163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O8/c1-2-27-15-5-3-12(4-6-15)18-16(21)10-28-17(22)11-7-13(19(23)24)9-14(8-11)20(25)26/h3-9H,2,10H2,1H3,(H,18,21)