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

Systemtic Name: methyl 2-(6-bromanyl-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-methyl-propanoate Openeye Name: methyl 2-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-methyl-propanoate CAS Name: 2-(6-bromo-5-methoxy-2-nitro-1-cyclohexa-2,4-dienyl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(6-bromo-5-methoxy-2-nitrocyclohexa-2,4-dien-1-yl)-2-methylpropanoate Traditional Name: 2-(6-bromo-5-methoxy-2-nitro-cyclohexa-2,4-dien-1-yl)-2-methyl-propionic acid methyl ester Formula: C12H16BrNO5 MolecularWeight: 334.16314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C(C(=CC=C1[N+](=O)[O-])OC)Br)C(=O)OC

Isomeric SMILES

CC(C)(C1C(C(=CC=C1[N+](=O)[O-])OC)Br)C(=O)OC

InChI

InChI=1S/C12H16BrNO5/c1-12(2,11(15)19-4)9-7(14(16)17)5-6-8(18-3)10(9)13/h5-6,9-10H,1-4H3