4-nitro-2-[(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 4-nitro-2-[(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 2-(benzylcarbamoyl)-4-nitro-benzoic acid CAS Name: 4-nitro-2-[oxo-[(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 2-(benzylcarbamoyl)-4-nitrobenzoic acid Traditional Name: 2-(benzylcarbamoyl)-4-nitro-benzoic acid Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5/c18-14(16-9-10-4-2-1-3-5-10)13-8-11(17(21)22)6-7-12(13)15(19)20/h1-8H,9H2,(H,16,18)(H,19,20)