methyl 5-bromanyl-2-(3-methyl-6-nitro-6-propan-2-yl-cyclohexa-2,4-dien-1-yl)oxy-pentanoate

Systemtic Name: methyl 5-bromanyl-2-(3-methyl-6-nitro-6-propan-2-yl-cyclohexa-2,4-dien-1-yl)oxy-pentanoate Openeye Name: methyl 5-bromo-2-(6-isopropyl-3-methyl-6-nitro-cyclohexa-2,4-dien-1-yl)oxy-pentanoate CAS Name: 5-bromo-2-[(3-methyl-6-nitro-6-propan-2-yl-1-cyclohexa-2,4-dienyl)oxy]pentanoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(3-methyl-6-nitro-6-propan-2-ylcyclohexa-2,4-dien-1-yl)oxypentanoate Traditional Name: 5-bromo-2-(6-isopropyl-3-methyl-6-nitro-cyclohexa-2,4-dien-1-yl)oxy-valeric acid methyl ester Formula: C16H24BrNO5 MolecularWeight: 390.26946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C=C1)(C(C)C)[N+](=O)[O-])OC(CCCBr)C(=O)OC

Isomeric SMILES

CC1=CC(C(C=C1)(C(C)C)[N+](=O)[O-])OC(CCCBr)C(=O)OC

InChI

InChI=1S/C16H24BrNO5/c1-11(2)16(18(20)21)8-7-12(3)10-14(16)23-13(6-5-9-17)15(19)22-4/h7-8,10-11,13-14H,5-6,9H2,1-4H3