1-methyl-3-[(4-propoxycarbonylphenyl)carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-3-[(4-propoxycarbonylphenyl)carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-3-[(4-propoxycarbonylphenyl)carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-[oxo-[4-[oxo(propoxy)methyl]anilino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-[(4-propoxycarbonylphenyl)carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-3-[(4-propoxycarbonylphenyl)carbamoyl]pyrazole-4-carboxylic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2C(=O)O)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C16H17N3O5/c1-3-8-24-16(23)10-4-6-11(7-5-10)17-14(20)13-12(15(21)22)9-19(2)18-13/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H,21,22)