[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-keto-ethyl]-dimethyl-ammonium Formula: C12H18ClN4O3+ MolecularWeight: 301.74932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H17ClN4O3/c1-16(2)8-12(18)15-6-5-14-11-4-3-9(17(19)20)7-10(11)13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,18)/p+1