methyl 3-[5-nitro-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate

Systemtic Name: methyl 3-[5-nitro-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate Openeye Name: methyl 3-[5-nitro-3-(3-pyridylmethyl)indol-1-yl]propanoate CAS Name: 3-[5-nitro-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-nitro-3-(pyridin-3-ylmethyl)indol-1-yl]propanoate Traditional Name: 3-[5-nitro-3-(3-pyridylmethyl)indol-1-yl]propionic acid methyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCN1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=CN=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-25-18(22)6-8-20-12-14(9-13-3-2-7-19-11-13)16-10-15(21(23)24)4-5-17(16)20/h2-5,7,10-12H,6,8-9H2,1H3