ethyl 3-(1H-indol-3-yl)-2-nitro-butanoate

Systemtic Name: ethyl 3-(1H-indol-3-yl)-2-nitro-butanoate Openeye Name: ethyl 3-(1H-indol-3-yl)-2-nitro-butanoate CAS Name: 3-(1H-indol-3-yl)-2-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-indol-3-yl)-2-nitrobutanoate Traditional Name: 3-(1H-indol-3-yl)-2-nitro-butyric acid ethyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-3-20-14(17)13(16(18)19)9(2)11-8-15-12-7-5-4-6-10(11)12/h4-9,13,15H,3H2,1-2H3