4-chloranyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C14H12ClN3O3/c1-18-8-9(7-16-18)2-5-13(19)17-12-6-10(15)3-4-11(12)14(20)21/h2-8H,1H3,(H,17,19)(H,20,21)/b5-2+