4-[(2-nitrophenyl)-(phenylmethyl)amino]phthalic acid

Systemtic Name: 4-[(2-nitrophenyl)-(phenylmethyl)amino]phthalic acid Openeye Name: 4-(N-benzyl-2-nitro-anilino)phthalic acid CAS Name: 4-(2-nitro-N-(phenylmethyl)anilino)phthalic acid IUPAC Name: 4-(N-benzyl-2-nitroanilino)phthalic acid Traditional Name: 4-(N-benzyl-2-nitro-anilino)phthalic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O6/c24-20(25)16-11-10-15(12-17(16)21(26)27)22(13-14-6-2-1-3-7-14)18-8-4-5-9-19(18)23(28)29/h1-12H,13H2,(H,24,25)(H,26,27)