(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: (2R)-2-(benzyloxycarbonylamino)-3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-phenyl-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C19H18N5O3- MolecularWeight: 364.37792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=NC2=NC=NN2)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=NC2=NC=NN2)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3/c25-17(23-18-20-13-21-24-18)16(11-14-7-3-1-4-8-14)22-19(26)27-12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,22,26)(H2,20,21,23,24,25)/p-1/t16-/m1/s1