4-[bis(phenylmethyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[bis(phenylmethyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(dibenzylamino)-3-nitro-benzoic acid CAS Name: 4-[bis(phenylmethyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-(dibenzylamino)-3-nitrobenzoic acid Traditional Name: 4-(dibenzylamino)-3-nitro-benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4/c24-21(25)18-11-12-19(20(13-18)23(26)27)22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,25)