4-[(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-4-keto-butyric acid Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)CCC(=O)O)N

InChI

InChI=1S/C12H13N5O3/c13-11-15-12(14-9(18)6-7-10(19)20)16-17(11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,19,20)(H3,13,14,15,16,18)