(E)-2-benzamido-3-[1-(6-chloranylpyridazin-3-yl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[1-(6-chloranylpyridazin-3-yl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[1-(6-chloropyridazin-3-yl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[1-(6-chloro-3-pyridazinyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[1-(6-chloropyridazin-3-yl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid Formula: C19H16ClN5O3 MolecularWeight: 397.81504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NN=C(C=C2)Cl)C)C=C(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=NN=C(C=C2)Cl)C)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClN5O3/c1-11-14(12(2)25(24-11)17-9-8-16(20)22-23-17)10-15(19(27)28)21-18(26)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,26)(H,27,28)/b15-10+