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

Systemtic Name: 5-[(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoate IUPAC Name: 5-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoate Traditional Name: 5-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-5-keto-valerate Formula: C13H14N5O3- MolecularWeight: 288.28196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)CCCC(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)CCCC(=O)[O-])N

InChI

InChI=1S/C13H15N5O3/c14-12-16-13(15-10(19)7-4-8-11(20)21)17-18(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,20,21)(H3,14,15,16,17,19)/p-1