8-[2-[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[2-[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-8-oxidanylidene-octanoic acid Openeye Name: 8-[2-[(E)-(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-8-oxo-octanoic acid CAS Name: 8-[[(E)-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-8-oxooctanoic acid IUPAC Name: 8-[2-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-8-oxooctanoic acid Traditional Name: 8-[N'-[(E)-(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-8-keto-caprylic acid Formula: C16H21BrN2O5 MolecularWeight: 401.25234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNNC(=O)CCCCCCC(=O)O)C1=O)Br

Isomeric SMILES

COC1=CC(=C/C(=C\NNC(=O)CCCCCCC(=O)O)/C1=O)Br

InChI

InChI=1S/C16H21BrN2O5/c1-24-13-9-12(17)8-11(16(13)23)10-18-19-14(20)6-4-2-3-5-7-15(21)22/h8-10,18H,2-7H2,1H3,(H,19,20)(H,21,22)/b11-10+