4-[2-[(Z)-3-(aminocarbonylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(Z)-3-(aminocarbonylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(Z)-2-cyano-3-oxo-3-ureido-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(Z)-3-(carbamoylamino)-2-cyano-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(Z)-3-(carbamoylamino)-2-cyano-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(Z)-2-cyano-3-keto-3-ureido-prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=C(C#N)C(=O)NC(=O)N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)/C=C(/C#N)\C(=O)NC(=O)N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H12N4O4/c17-9-11(14(21)19-16(18)24)8-13-2-1-7-20(13)12-5-3-10(4-6-12)15(22)23/h1-8H,(H,22,23)(H3,18,19,21,24)/b11-8-