phenacyl 3-[(2,4-dinitrophenyl)carbonylamino]benzoate

Systemtic Name: phenacyl 3-[(2,4-dinitrophenyl)carbonylamino]benzoate Openeye Name: phenacyl 3-[(2,4-dinitrobenzoyl)amino]benzoate CAS Name: 3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2,4-dinitrobenzoyl)amino]benzoate Traditional Name: 3-[(2,4-dinitrobenzoyl)amino]benzoic acid phenacyl ester Formula: C22H15N3O8 MolecularWeight: 449.3698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O8/c26-20(14-5-2-1-3-6-14)13-33-22(28)15-7-4-8-16(11-15)23-21(27)18-10-9-17(24(29)30)12-19(18)25(31)32/h1-12H,13H2,(H,23,27)