(4-cyanophenyl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (4-cyanobenzyl) ester Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13N3O5/c18-9-12-4-6-13(7-5-12)11-25-16(21)10-19-17(22)14-2-1-3-15(8-14)20(23)24/h1-8H,10-11H2,(H,19,22)