3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]benzoic acid

Systemtic Name: 3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]benzoic acid Openeye Name: 3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]benzoic acid CAS Name: 3-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[(4-nitrophenyl)methoxycarbonylamino]methyl]benzoic acid Traditional Name: 3-[[(4-nitrobenzyl)oxycarbonylamino]methyl]benzoic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c19-15(20)13-3-1-2-12(8-13)9-17-16(21)24-10-11-4-6-14(7-5-11)18(22)23/h1-8H,9-10H2,(H,17,21)(H,19,20)