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

Systemtic Name: 4-[(5-acetamido-2-phenyl-1,2,4-triazol-3-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-acetamido-2-phenyl-1,2,4-triazol-3-yl)amino]-4-oxo-butanoate CAS Name: 4-[(5-acetamido-2-phenyl-1,2,4-triazol-3-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(5-acetamido-2-phenyl-1,2,4-triazol-3-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-acetamido-2-phenyl-1,2,4-triazol-3-yl)amino]-4-keto-butyrate Formula: C14H14N5O4- MolecularWeight: 316.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=N1)NC(=O)CCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NN(C(=N1)NC(=O)CCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H15N5O4/c1-9(20)15-13-17-14(16-11(21)7-8-12(22)23)19(18-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,22,23)(H2,15,16,17,18,20,21)/p-1