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

Systemtic Name: 4-(5-azanyl-4-ethoxycarbonyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-(5-amino-4-ethoxycarbonyl-pyrazol-1-yl)benzoic acid CAS Name: 4-(5-amino-4-ethoxycarbonyl-1-pyrazolyl)benzoic acid IUPAC Name: 4-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoic acid Traditional Name: 4-(5-amino-4-carbethoxy-pyrazol-1-yl)benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-2-20-13(19)10-7-15-16(11(10)14)9-5-3-8(4-6-9)12(17)18/h3-7H,2,14H2,1H3,(H,17,18)