(1-bromanyl-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) 3,4-dimethoxybenzoate

Systemtic Name: (1-bromanyl-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) 3,4-dimethoxybenzoate Openeye Name: (5-bromo-7-nitro-tetralin-6-yl) 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (1-bromo-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) ester IUPAC Name: (1-bromo-3-nitro-5,6,7,8-tetrahydronaphthalen-2-yl) 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (5-bromo-7-nitro-tetralin-6-yl) ester Formula: C19H18BrNO6 MolecularWeight: 436.25332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C3CCCCC3=C2Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C3CCCCC3=C2Br)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18BrNO6/c1-25-15-8-7-12(10-16(15)26-2)19(22)27-18-14(21(23)24)9-11-5-3-4-6-13(11)17(18)20/h7-10H,3-6H2,1-2H3