2-[(4-cyanophenyl)carbamoylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[(4-cyanophenyl)carbamoylamino]-5-methyl-benzoic acid Openeye Name: 2-[(4-cyanophenyl)carbamoylamino]-5-methyl-benzoic acid CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[(4-cyanophenyl)carbamoylamino]-5-methylbenzoic acid Traditional Name: 2-[(4-cyanophenyl)carbamoylamino]-5-methyl-benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C16H13N3O3/c1-10-2-7-14(13(8-10)15(20)21)19-16(22)18-12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,20,21)(H2,18,19,22)