[(E)-[5,6-bis(bromanyl)-2,5-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 4-nitrobenzoate

Systemtic Name: [(E)-[5,6-bis(bromanyl)-2,5-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene]amino] 4-nitrobenzoate Openeye Name: [(E)-(5,6-dibromo-2,5-dimethyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-(5,6-dibromo-2,5-dimethyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5,6-dibromo-2,5-dimethyl-4-oxocyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-(5,6-dibromo-4-keto-2,5-dimethyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C15H12Br2N2O5 MolecularWeight: 460.07418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(C1=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)(C)Br

Isomeric SMILES

CC\1=CC(=O)C(C(/C1=N/OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)(C)Br

InChI

InChI=1S/C15H12Br2N2O5/c1-8-7-11(20)15(2,17)13(16)12(8)18-24-14(21)9-3-5-10(6-4-9)19(22)23/h3-7,13H,1-2H3/b18-12+