[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-methylpropyl)azanium

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-methylpropyl)azanium Openeye Name: isobutyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(2-methylpropyl)ammonium IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]ammonium Formula: C14H22N3O4+ MolecularWeight: 296.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4/c1-9(2)8-15-10(3)14(18)16-12-7-11(17(19)20)5-6-13(12)21-4/h5-7,9-10,15H,8H2,1-4H3,(H,16,18)/p+1/t10-/m1/s1