methyl 2-(6-bromanyl-5-ethoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-pyrazin-2-yl-propanoate

Systemtic Name: methyl 2-(6-bromanyl-5-ethoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-pyrazin-2-yl-propanoate Openeye Name: methyl 2-(6-bromo-5-ethoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-pyrazin-2-yl-propanoate CAS Name: 2-(6-bromo-5-ethoxy-2-nitro-1-cyclohexa-2,4-dienyl)-2-(2-pyrazinyl)propanoic acid methyl ester IUPAC Name: methyl 2-(6-bromo-5-ethoxy-2-nitrocyclohexa-2,4-dien-1-yl)-2-pyrazin-2-ylpropanoate Traditional Name: 2-(6-bromo-5-ethoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-pyrazin-2-yl-propionic acid methyl ester Formula: C16H18BrN3O5 MolecularWeight: 412.23522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C(C1Br)C(C)(C2=NC=CN=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C(C1Br)C(C)(C2=NC=CN=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN3O5/c1-4-25-11-6-5-10(20(22)23)13(14(11)17)16(2,15(21)24-3)12-9-18-7-8-19-12/h5-9,13-14H,4H2,1-3H3