4-[(2-azanyl-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(2-azanyl-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(2-amino-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carbonyl)amino]benzoic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C#N

Isomeric SMILES

C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C#N

InChI

InChI=1S/C16H14N4O3/c17-8-11-12-2-1-7-20(12)14(13(11)18)15(21)19-10-5-3-9(4-6-10)16(22)23/h3-6H,1-2,7,18H2,(H,19,21)(H,22,23)