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

Systemtic Name: tert-butyl-[2-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-[2-(2-chloro-4-nitroanilino)ethylamino]-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-[2-(2-chloro-4-nitro-anilino)ethylamino]-2-keto-ethyl]ammonium Formula: C14H22ClN4O3+ MolecularWeight: 329.80248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)[NH2+]CC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H21ClN4O3/c1-14(2,3)18-9-13(20)17-7-6-16-12-5-4-10(19(21)22)8-11(12)15/h4-5,8,16,18H,6-7,9H2,1-3H3,(H,17,20)/p+1