(2S)-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C13H14N5O3- MolecularWeight: 288.28196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC1=NC=NN1)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=NC1=NC=NN1)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15N5O3/c1-9(11(19)17-12-14-8-15-18-12)16-13(20)21-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,16,20)(H2,14,15,17,18,19)/p-1/t9-/m0/s1