methyl-[(2S)-3-[5-nitro-2,3-bis(oxidanylidene)indol-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-[5-nitro-2,3-bis(oxidanylidene)indol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(5-nitro-2,3-dioxo-indolin-1-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(5-nitro-2,3-dioxo-1-indolyl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(5-nitro-2,3-dioxoindol-1-yl)propyl]-methylazanium Traditional Name: [(2S)-3-(2,3-diketo-5-nitro-indolin-1-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C12H14N3O5+ MolecularWeight: 280.25666

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O)O

InChI

InChI=1S/C12H13N3O5/c1-13-5-8(16)6-14-10-3-2-7(15(19)20)4-9(10)11(17)12(14)18/h2-4,8,13,16H,5-6H2,1H3/p+1/t8-/m0/s1