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

Systemtic Name: (E)-3-(5-azanyl-1-ethanoyl-3-methyl-pyrazol-4-yl)-2-[(4-chlorophenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(1-acetyl-5-amino-3-methyl-4-pyrazolyl)-2-[[(4-chlorophenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(1-acetyl-5-amino-3-methylpyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(1-acetyl-5-amino-3-methyl-pyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]acrylic acid Formula: C16H15ClN4O4 MolecularWeight: 362.7677

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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)Cl)N)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O4/c1-8-12(14(18)21(20-8)9(2)22)7-13(16(24)25)19-15(23)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3,(H,19,23)(H,24,25)/b13-7+