4-[[[5-[(E)-3-oxidanylidenebut-1-enyl]-1H-pyrrol-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[5-[(E)-3-oxidanylidenebut-1-enyl]-1H-pyrrol-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[5-[(E)-3-oxobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[5-[(E)-3-oxobut-1-enyl]-1H-pyrrol-2-yl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-[(E)-3-oxobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-[(E)-3-ketobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(N1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)/C=C/C1=CC=C(N1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H16N2O4/c1-11(20)2-7-14-8-9-15(19-14)16(21)18-10-12-3-5-13(6-4-12)17(22)23/h2-9,19H,10H2,1H3,(H,18,21)(H,22,23)/b7-2+