3-azanyl-4-cyano-1-(phenylmethyl)pyrrole-2-carboxylic acid

Systemtic Name: 3-azanyl-4-cyano-1-(phenylmethyl)pyrrole-2-carboxylic acid Openeye Name: 3-amino-1-benzyl-4-cyano-pyrrole-2-carboxylic acid CAS Name: 3-amino-4-cyano-1-(phenylmethyl)-2-pyrrolecarboxylic acid IUPAC Name: 3-amino-1-benzyl-4-cyanopyrrole-2-carboxylic acid Traditional Name: 3-amino-1-benzyl-4-cyano-pyrrole-2-carboxylic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=C2C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=C2C(=O)O)N)C#N

InChI

InChI=1S/C13H11N3O2/c14-6-10-8-16(12(11(10)15)13(17)18)7-9-4-2-1-3-5-9/h1-5,8H,7,15H2,(H,17,18)