3-[4-(acetyloxymethyl)-1H-indol-3-yl]-4-methoxy-2-nitro-butanoic acid

Systemtic Name: 3-[4-(acetyloxymethyl)-1H-indol-3-yl]-4-methoxy-2-nitro-butanoic acid Openeye Name: 3-[4-(acetoxymethyl)-1H-indol-3-yl]-4-methoxy-2-nitro-butanoic acid CAS Name: 3-[4-(acetyloxymethyl)-1H-indol-3-yl]-4-methoxy-2-nitrobutanoic acid IUPAC Name: 3-[4-(acetyloxymethyl)-1H-indol-3-yl]-4-methoxy-2-nitrobutanoic acid Traditional Name: 3-[4-(acetoxymethyl)-1H-indol-3-yl]-4-methoxy-2-nitro-butyric acid Formula: C16H18N2O7 MolecularWeight: 350.32332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C2C(=CC=C1)NC=C2C(COC)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C2C(=CC=C1)NC=C2C(COC)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7/c1-9(19)25-7-10-4-3-5-13-14(10)11(6-17-13)12(8-24-2)15(16(20)21)18(22)23/h3-6,12,15,17H,7-8H2,1-2H3,(H,20,21)