2-(4-nitroimino-1-azonia-3,5-diazanidacyclohex-1-yl)ethyl N-(4-chlorophenyl)carbamate

Systemtic Name: 2-(4-nitroimino-1-azonia-3,5-diazanidacyclohex-1-yl)ethyl N-(4-chlorophenyl)carbamate Openeye Name: 2-(4-nitroimino-1-azonia-3,5-diazanidacyclohex-1-yl)ethyl N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic acid 2-(4-nitroimino-1-azonia-3,5-diazanidacyclohex-1-yl)ethyl ester IUPAC Name: 2-(4-nitroimino-1-azonia-3,5-diazanidacyclohex-1-yl)ethyl N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid 2-(4-nitroimino-2,6-dihydro-1H-s-triazin-1-ium-3,5-diid-1-yl)ethyl ester Formula: C12H14ClN6O4- MolecularWeight: 341.73036

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Descriptors Computed from Structure

Canonical SMILES:

C1[N-]C(=N[N+](=O)[O-])[N-]C[NH+]1CCOC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1[N-]C(=N[N+](=O)[O-])[N-]C[NH+]1CCOC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN6O4/c13-9-1-3-10(4-2-9)16-12(20)23-6-5-18-7-14-11(15-8-18)17-19(21)22/h1-4H,5-8H2,(H2-,14,15,16,17,20)/q-1