3-[5-azanyl-4-(3-iodanylphenyl)carbonyl-pyrazol-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-azanyl-4-(3-iodanylphenyl)carbonyl-pyrazol-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-4-methyl-benzoic acid CAS Name: 3-[5-amino-4-[(3-iodophenyl)-oxomethyl]-1-pyrazolyl]-4-methylbenzoic acid IUPAC Name: 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-4-methylbenzoic acid Traditional Name: 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-4-methyl-benzoic acid Formula: C18H14IN3O3 MolecularWeight: 447.22653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=C(C=N2)C(=O)C3=CC(=CC=C3)I)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=C(C=N2)C(=O)C3=CC(=CC=C3)I)N

InChI

InChI=1S/C18H14IN3O3/c1-10-5-6-12(18(24)25)8-15(10)22-17(20)14(9-21-22)16(23)11-3-2-4-13(19)7-11/h2-9H,20H2,1H3,(H,24,25)