aniline; 2-(2-carboxyethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: aniline; 2-(2-carboxyethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: aniline; 2-(2-carboxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: aniline; 2-(2-carboxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: aniline; 2-(2-carboxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(2-carboxyethyl)-5-keto-3-pyrazoline-3-carboxylic acid; phenylamine Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=C(NN(C1=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N.C1=C(NN(C1=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C7H8N2O5.C6H7N/c10-5-3-4(7(13)14)8-9(5)2-1-6(11)12;7-6-4-2-1-3-5-6/h3,8H,1-2H2,(H,11,12)(H,13,14);1-5H,7H2