ethyl 3-[4-(methoxymethyl)-1H-indol-3-yl]-2-nitro-butanoate

Systemtic Name: ethyl 3-[4-(methoxymethyl)-1H-indol-3-yl]-2-nitro-butanoate Openeye Name: ethyl 3-[4-(methoxymethyl)-1H-indol-3-yl]-2-nitro-butanoate CAS Name: 3-[4-(methoxymethyl)-1H-indol-3-yl]-2-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(methoxymethyl)-1H-indol-3-yl]-2-nitrobutanoate Traditional Name: 3-[4-(methoxymethyl)-1H-indol-3-yl]-2-nitro-butyric acid ethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-4-23-16(19)15(18(20)21)10(2)12-8-17-13-7-5-6-11(9-22-3)14(12)13/h5-8,10,15,17H,4,9H2,1-3H3