2-methylpropyl 2-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: 2-methylpropyl 2-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: isobutyl 2-(2,4-dinitroanilino)benzoate CAS Name: 2-(2,4-dinitroanilino)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(2,4-dinitroanilino)benzoate Traditional Name: 2-(2,4-dinitroanilino)benzoic acid isobutyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-11(2)10-26-17(21)13-5-3-4-6-14(13)18-15-8-7-12(19(22)23)9-16(15)20(24)25/h3-9,11,18H,10H2,1-2H3