[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium Openeye Name: 1,1-dimethylpropyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-(2-methylbutan-2-yl)ammonium IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]ammonium Formula: C14H22N3O4+ MolecularWeight: 296.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCC(C)(C)[NH2+]CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C14H21N3O4/c1-5-14(2,3)15-9-13(18)16-11-8-10(17(19)20)6-7-12(11)21-4/h6-8,15H,5,9H2,1-4H3,(H,16,18)/p+1