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

Systemtic Name: methyl 4-[[[4-[(E)-3-oxidanylidenebut-1-enyl]-1H-pyrrol-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-[(E)-3-oxobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[4-[(E)-3-oxobut-1-enyl]-1H-pyrrol-2-yl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[(E)-3-oxobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-[(E)-3-ketobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)/C=C/C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O4/c1-12(21)3-4-14-9-16(19-11-14)17(22)20-10-13-5-7-15(8-6-13)18(23)24-2/h3-9,11,19H,10H2,1-2H3,(H,20,22)/b4-3+