1-benzamido-2,2,3,3-tetracyano-4-(4-methylphenyl)cyclobutane-1-carboxylic acid

Systemtic Name: 1-benzamido-2,2,3,3-tetracyano-4-(4-methylphenyl)cyclobutane-1-carboxylic acid Openeye Name: 1-benzamido-2,2,3,3-tetracyano-4-(p-tolyl)cyclobutanecarboxylic acid CAS Name: 1-benzamido-2,2,3,3-tetracyano-4-(4-methylphenyl)-1-cyclobutanecarboxylic acid IUPAC Name: 1-benzamido-2,2,3,3-tetracyano-4-(4-methylphenyl)cyclobutane-1-carboxylic acid Traditional Name: 1-benzamido-2,2,3,3-tetracyano-4-(p-tolyl)cyclobutanecarboxylic acid Formula: C23H15N5O3 MolecularWeight: 409.3969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C2(C(=O)O)NC(=O)C3=CC=CC=C3)(C#N)C#N)(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C2(C(=O)O)NC(=O)C3=CC=CC=C3)(C#N)C#N)(C#N)C#N

InChI

InChI=1S/C23H15N5O3/c1-15-7-9-16(10-8-15)18-21(11-24,12-25)22(13-26,14-27)23(18,20(30)31)28-19(29)17-5-3-2-4-6-17/h2-10,18H,1H3,(H,28,29)(H,30,31)