(1R)-1-(1-ethanoylindol-3-yl)-2-nitro-ethanesulfonate

Systemtic Name: (1R)-1-(1-ethanoylindol-3-yl)-2-nitro-ethanesulfonate Openeye Name: (1R)-1-(1-acetylindol-3-yl)-2-nitro-ethanesulfonate CAS Name: (1R)-1-(1-acetyl-3-indolyl)-2-nitroethanesulfonate IUPAC Name: (1R)-1-(1-acetylindol-3-yl)-2-nitroethanesulfonate Traditional Name: (1R)-1-(1-acetylindol-3-yl)-2-nitro-ethanesulfonate Formula: C12H11N2O6S- MolecularWeight: 311.29054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)[C@H](C[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N2O6S/c1-8(15)13-6-10(9-4-2-3-5-11(9)13)12(7-14(16)17)21(18,19)20/h2-6,12H,7H2,1H3,(H,18,19,20)/p-1/t12-/m0/s1