methyl 3-[[(4E)-4-[(4-bromanyl-2,6-dicyano-phenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[[(4E)-4-[(4-bromanyl-2,6-dicyano-phenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[[(4E)-4-[(4-bromo-2,6-dicyano-phenyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]-(3-methoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[[(4E)-4-[(4-bromo-2,6-dicyanophenyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]-(3-methoxy-3-oxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(4E)-4-[(4-bromo-2,6-dicyanophenyl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]-(3-methoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[[(4E)-4-[(4-bromo-2,6-dicyano-phenyl)hydrazono]-3-keto-cyclohexa-1,5-dien-1-yl]-(3-keto-3-methoxy-propyl)amino]propionic acid methyl ester Formula: C22H20BrN5O5 MolecularWeight: 514.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC(=O)OC)C1=CC(=O)C(=NNC2=C(C=C(C=C2C#N)Br)C#N)C=C1

Isomeric SMILES

COC(=O)CCN(CCC(=O)OC)C1=CC(=O)/C(=N/NC2=C(C=C(C=C2C#N)Br)C#N)/C=C1

InChI

InChI=1S/C22H20BrN5O5/c1-32-20(30)5-7-28(8-6-21(31)33-2)17-3-4-18(19(29)11-17)26-27-22-14(12-24)9-16(23)10-15(22)13-25/h3-4,9-11,27H,5-8H2,1-2H3/b26-18+