5-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)-2-chloranyl-benzoic acid

Systemtic Name: 5-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)-2-chloranyl-benzoic acid Openeye Name: 5-(5-amino-4-ethoxycarbonyl-pyrazol-1-yl)-2-chloro-benzoic acid CAS Name: 5-(5-amino-4-ethoxycarbonyl-1-pyrazolyl)-2-chlorobenzoic acid IUPAC Name: 5-(5-amino-4-ethoxycarbonylpyrazol-1-yl)-2-chlorobenzoic acid Traditional Name: 5-(5-amino-4-carbethoxy-pyrazol-1-yl)-2-chloro-benzoic acid Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)Cl)C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)Cl)C(=O)O)N

InChI

InChI=1S/C13H12ClN3O4/c1-2-21-13(20)9-6-16-17(11(9)15)7-3-4-10(14)8(5-7)12(18)19/h3-6H,2,15H2,1H3,(H,18,19)