(E)-3-(5-azanyl-1-ethanoyl-3-methyl-pyrazol-4-yl)-2-[(4-methylphenyl)carbonylamino]prop-2-enoic acid

Systemtic Name: (E)-3-(5-azanyl-1-ethanoyl-3-methyl-pyrazol-4-yl)-2-[(4-methylphenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(1-acetyl-5-amino-3-methyl-4-pyrazolyl)-2-[[(4-methylphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(1-acetyl-5-amino-3-methylpyrazol-4-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-(p-toluoylamino)acrylic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=C(N(N=C2C)C(=O)C)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=C(N(N=C2C)C(=O)C)N)/C(=O)O

InChI

InChI=1S/C17H18N4O4/c1-9-4-6-12(7-5-9)16(23)19-14(17(24)25)8-13-10(2)20-21(11(3)22)15(13)18/h4-8H,18H2,1-3H3,(H,19,23)(H,24,25)/b14-8+