1-[1-[(2E)-2-cyano-2-hydroxyimino-ethyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea

Systemtic Name: 1-[1-[(2E)-2-cyano-2-hydroxyimino-ethyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea Openeye Name: 1-[1-[(2E)-2-cyano-2-hydroxyimino-ethyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea CAS Name: 1-[1-[(2E)-2-cyano-2-hydroxyiminoethyl]-1,2,4-triazol-4-ium-4-yl]-3-phenylurea IUPAC Name: 1-[1-[(2E)-2-cyano-2-hydroxyiminoethyl]-1,2,4-triazol-4-ium-4-yl]-3-phenylurea Traditional Name: 1-[1-[(2E)-2-cyano-2-hydroximino-ethyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea Formula: C12H12N7O2+ MolecularWeight: 286.26938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N[N+]2=CN(N=C2)CC(=NO)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N[N+]2=CN(N=C2)C/C(=N\O)/C#N

InChI

InChI=1S/C12H11N7O2/c13-6-11(17-21)7-18-9-19(8-14-18)16-12(20)15-10-4-2-1-3-5-10/h1-5,8-9H,7H2,(H2-,15,16,20,21)/p+1/b17-11-