3-[1-(1H-indol-3-yl)-2-nitro-ethyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[1-(1H-indol-3-yl)-2-nitro-ethyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-3-[1-(1H-indol-3-yl)-2-nitro-ethyl]-6-methyl-pyran-4-one CAS Name: 2-hydroxy-3-[1-(1H-indol-3-yl)-2-nitroethyl]-6-methyl-4-pyranone IUPAC Name: 2-hydroxy-3-[1-(1H-indol-3-yl)-2-nitroethyl]-6-methylpyran-4-one Traditional Name: 2-hydroxy-3-[1-(1H-indol-3-yl)-2-nitro-ethyl]-6-methyl-pyran-4-one Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H14N2O5/c1-9-6-14(19)15(16(20)23-9)12(8-18(21)22)11-7-17-13-5-3-2-4-10(11)13/h2-7,12,17,20H,8H2,1H3