[2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C16H10BrN3O9 MolecularWeight: 468.1693

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/[N+](=O)[O-])Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10BrN3O9/c1-28-14-5-9(2-3-18(22)23)4-13(17)15(14)29-16(21)10-6-11(19(24)25)8-12(7-10)20(26)27/h2-8H,1H3/b3-2+