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

Systemtic Name: (E)-3-(5-azanyl-1-ethanoyl-3-methyl-pyrazol-4-yl)-2-[(4-methoxyphenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(1-acetyl-5-amino-3-methyl-4-pyrazolyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(1-acetyl-5-amino-3-methylpyrazol-4-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-(p-anisoylamino)acrylic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C(=O)O)NC(=O)C2=CC=C(C=C2)OC)N)C(=O)C

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C(=O)O)/NC(=O)C2=CC=C(C=C2)OC)N)C(=O)C

InChI

InChI=1S/C17H18N4O5/c1-9-13(15(18)21(20-9)10(2)22)8-14(17(24)25)19-16(23)11-4-6-12(26-3)7-5-11/h4-8H,18H2,1-3H3,(H,19,23)(H,24,25)/b14-8+