(2-methoxy-2-oxidanylidene-ethyl)-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: (2-methoxy-2-oxo-ethyl)-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: (2-methoxy-2-oxoethyl)-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: (2-keto-2-methoxy-ethyl)-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C)[NH2+]CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-8-4-5-10(6-11(8)14(16)17)9(2)13-7-12(15)18-3/h4-6,9,13H,7H2,1-3H3/p+1/t9-/m1/s1