phenacyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: phenacyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: phenacyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid phenacyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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