(phenylmethyl) 4-nitro-2-(2-phenylethanoylamino)benzoate

Systemtic Name: (phenylmethyl) 4-nitro-2-(2-phenylethanoylamino)benzoate Openeye Name: benzyl 4-nitro-2-[(2-phenylacetyl)amino]benzoate CAS Name: 4-nitro-2-[(1-oxo-2-phenylethyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitro-2-[(2-phenylacetyl)amino]benzoate Traditional Name: 4-nitro-2-[(2-phenylacetyl)amino]benzoic acid benzyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O5/c25-21(13-16-7-3-1-4-8-16)23-20-14-18(24(27)28)11-12-19(20)22(26)29-15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H,23,25)