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

Systemtic Name: (E)-3-[3,5-bis(azanyl)-1-ethanoyl-pyrazol-4-yl]-2-[(4-chlorophenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(1-acetyl-3,5-diamino-pyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(1-acetyl-3,5-diamino-4-pyrazolyl)-2-[[(4-chlorophenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(1-acetyl-3,5-diaminopyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(1-acetyl-3,5-diamino-pyrazol-4-yl)-2-[(4-chlorobenzoyl)amino]acrylic acid Formula: C15H14ClN5O4 MolecularWeight: 363.75576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(C(=N1)N)C=C(C(=O)O)NC(=O)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC(=O)N1C(=C(C(=N1)N)/C=C(\C(=O)O)/NC(=O)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C15H14ClN5O4/c1-7(22)21-13(18)10(12(17)20-21)6-11(15(24)25)19-14(23)8-2-4-9(16)5-3-8/h2-6H,18H2,1H3,(H2,17,20)(H,19,23)(H,24,25)/b11-6+