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

Systemtic Name: [(E)-(5-bromanyl-2,6-dimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate Openeye Name: [(E)-(5-bromo-2,6-dimethyl-4-oxo-cyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-(5-bromo-2,6-dimethyl-4-oxo-1-cyclohex-2-enylidene)amino] ester IUPAC Name: [(E)-(5-bromo-2,6-dimethyl-4-oxocyclohex-2-en-1-ylidene)amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-(5-bromo-4-keto-2,6-dimethyl-cyclohex-2-en-1-ylidene)amino] ester Formula: C15H13BrN2O5 MolecularWeight: 381.17812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C=C(C1=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O5/c1-8-7-12(19)13(16)9(2)14(8)17-23-15(20)10-3-5-11(6-4-10)18(21)22/h3-7,9,13H,1-2H3/b17-14-