cyclohexyl-[(2S)-1-methoxy-4-[(2-nitrophenyl)amino]-1,4-bis(oxidanylidene)butan-2-yl]azanium

Systemtic Name: cyclohexyl-[(2S)-1-methoxy-4-[(2-nitrophenyl)amino]-1,4-bis(oxidanylidene)butan-2-yl]azanium Openeye Name: cyclohexyl-[(1S)-1-methoxycarbonyl-3-(2-nitroanilino)-3-oxo-propyl]ammonium CAS Name: cyclohexyl-[(2S)-1-methoxy-4-(2-nitroanilino)-1,4-dioxobutan-2-yl]ammonium IUPAC Name: cyclohexyl-[(2S)-1-methoxy-4-(2-nitroanilino)-1,4-dioxobutan-2-yl]azanium Traditional Name: [(1S)-1-carbomethoxy-3-keto-3-(2-nitroanilino)propyl]-cyclohexyl-ammonium Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH2+]C2CCCCC2

Isomeric SMILES

COC(=O)[C@H](CC(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH2+]C2CCCCC2

InChI

InChI=1S/C17H23N3O5/c1-25-17(22)14(18-12-7-3-2-4-8-12)11-16(21)19-13-9-5-6-10-15(13)20(23)24/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3,(H,19,21)/p+1/t14-/m0/s1