propanedioic acid; (3-pyrazol-1-ylphenyl)methanamine

Systemtic Name: propanedioic acid; (3-pyrazol-1-ylphenyl)methanamine Openeye Name: malonic acid; (3-pyrazol-1-ylphenyl)methanamine CAS Name: propanedioic acid; [3-(1-pyrazolyl)phenyl]methanamine IUPAC Name: propanedioic acid; (3-pyrazol-1-ylphenyl)methanamine Traditional Name: malonic acid; (3-pyrazol-1-ylbenzyl)amine Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=N2)CN.C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=N2)CN.C(C(=O)O)C(=O)O

InChI

InChI=1S/C10H11N3.C3H4O4/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;4-2(5)1-3(6)7/h1-7H,8,11H2;1H2,(H,4,5)(H,6,7)