(E)-3-[4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(4-acetamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(4-acetamido-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(4-acetamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(4-acetamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrol-2-yl]acrylic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C=CC(=O)O)C)C

Isomeric SMILES

CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)/C=C/C(=O)O)C)C

InChI

InChI=1S/C16H18N4O4/c1-10(21)17-12-7-14(20(3)9-12)16(24)18-11-6-13(19(2)8-11)4-5-15(22)23/h4-9H,1-3H3,(H,17,21)(H,18,24)(H,22,23)/b5-4+