methyl 1-[3-(2-nitroethyl)-1H-indol-2-yl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[3-(2-nitroethyl)-1H-indol-2-yl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 1-[3-(2-nitroethyl)-1H-indol-2-yl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[3-(2-nitroethyl)-1H-indol-2-yl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(2-nitroethyl)-1H-indol-2-yl]-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexanecarboxylic acid methyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1=O)C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1=O)C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-25-17(22)18(10-5-4-8-15(18)21)16-13(9-11-20(23)24)12-6-2-3-7-14(12)19-16/h2-3,6-7,19H,4-5,8-11H2,1H3