2-nitro-6-[phenyl-(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[phenyl-(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 2-[benzyl(phenyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-nitro-6-[oxo-(N-(phenylmethyl)anilino)methyl]benzoic acid IUPAC Name: 2-[benzyl(phenyl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[benzyl(phenyl)carbamoyl]-6-nitro-benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5/c24-20(17-12-7-13-18(23(27)28)19(17)21(25)26)22(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,25,26)