3-azanyl-4-cyano-5,6-diphenyl-phthalic acid

Systemtic Name: 3-azanyl-4-cyano-5,6-diphenyl-phthalic acid Openeye Name: 3-amino-4-cyano-5,6-diphenyl-phthalic acid CAS Name: 3-amino-4-cyano-5,6-diphenylphthalic acid IUPAC Name: 3-amino-4-cyano-5,6-diphenylphthalic acid Traditional Name: 3-amino-4-cyano-5,6-diphenyl-phthalic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C(=O)O)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C(=O)O)C(=O)O)N)C#N

InChI

InChI=1S/C21H14N2O4/c22-11-14-15(12-7-3-1-4-8-12)16(13-9-5-2-6-10-13)17(20(24)25)18(19(14)23)21(26)27/h1-10H,23H2,(H,24,25)(H,26,27)