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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-11(2)15-5-3-4-6-16(15)19-17(22)10-28-18(23)12-7-13(20(24)25)9-14(8-12)21(26)27/h3-9,11H,10H2,1-2H3,(H,19,22)