methyl 3-(1-ethoxy-3-nitro-1-oxidanylidene-butan-2-yl)-1H-indole-4-carboxylate

Systemtic Name: methyl 3-(1-ethoxy-3-nitro-1-oxidanylidene-butan-2-yl)-1H-indole-4-carboxylate Openeye Name: methyl 3-(1-ethoxycarbonyl-2-nitro-propyl)-1H-indole-4-carboxylate CAS Name: 3-(1-ethoxy-3-nitro-1-oxobutan-2-yl)-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(1-ethoxy-3-nitro-1-oxobutan-2-yl)-1H-indole-4-carboxylate Traditional Name: 3-(1-carbethoxy-2-nitro-propyl)-1H-indole-4-carboxylic acid methyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CNC2=CC=CC(=C21)C(=O)OC)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C1=CNC2=CC=CC(=C21)C(=O)OC)C(C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-4-24-16(20)13(9(2)18(21)22)11-8-17-12-7-5-6-10(14(11)12)15(19)23-3/h5-9,13,17H,4H2,1-3H3