(4-nitrophenyl) N'-(1-methylbenzotriazol-5-yl)carbamimidate

Systemtic Name: (4-nitrophenyl) N'-(1-methylbenzotriazol-5-yl)carbamimidate Openeye Name: 3-(1-methylbenzotriazol-5-yl)-2-(4-nitrophenyl)isourea CAS Name: N'-(1-methyl-5-benzotriazolyl)carbamimidic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N'-(1-methylbenzotriazol-5-yl)carbamimidate Traditional Name: 3-(1-methylbenzotriazol-5-yl)-2-(4-nitrophenyl)isourea Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N=C(N)OC3=CC=C(C=C3)[N+](=O)[O-])N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)N=C(N)OC3=CC=C(C=C3)[N+](=O)[O-])N=N1

InChI

InChI=1S/C14H12N6O3/c1-19-13-7-2-9(8-12(13)17-18-19)16-14(15)23-11-5-3-10(4-6-11)20(21)22/h2-8H,1H3,(H2,15,16)