[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7/c1-10-4-5-11(2)14(6-10)19-17(22)9-28-18(23)13-7-15(20(24)25)12(3)16(8-13)21(26)27/h4-8H,9H2,1-3H3,(H,19,22)