1-[3-(2-nitro-1-oxidanyl-ethyl)indol-1-yl]ethanone

Systemtic Name: 1-[3-(2-nitro-1-oxidanyl-ethyl)indol-1-yl]ethanone Openeye Name: 1-[3-(1-hydroxy-2-nitro-ethyl)indol-1-yl]ethanone CAS Name: 1-[3-(1-hydroxy-2-nitroethyl)-1-indolyl]ethanone IUPAC Name: 1-[3-(1-hydroxy-2-nitroethyl)indol-1-yl]ethanone Traditional Name: 1-[3-(1-hydroxy-2-nitro-ethyl)indol-1-yl]ethanone Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-8(15)13-6-10(12(16)7-14(17)18)9-4-2-3-5-11(9)13/h2-6,12,16H,7H2,1H3