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

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c1-10-3-4-11(2)15(5-10)18-16(21)9-27-17(22)12-6-13(19(23)24)8-14(7-12)20(25)26/h3-8H,9H2,1-2H3,(H,18,21)