N-[4-[2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(3-bromo-4-hydroxy-5-methoxy-benzoyl)hydrazino]-4-oxo-butyl]-4-nitro-benzamide CAS Name: N-[4-[[(3-bromo-4-hydroxy-5-methoxyphenyl)-oxomethyl]hydrazo]-4-oxobutyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(3-bromo-4-hydroxy-5-methoxybenzoyl)hydrazinyl]-4-oxobutyl]-4-nitrobenzamide Traditional Name: N-[4-[N'-(3-bromo-4-hydroxy-5-methoxy-benzoyl)hydrazino]-4-keto-butyl]-4-nitro-benzamide Formula: C19H19BrN4O7 MolecularWeight: 495.28076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O7/c1-31-15-10-12(9-14(20)17(15)26)19(28)23-22-16(25)3-2-8-21-18(27)11-4-6-13(7-5-11)24(29)30/h4-7,9-10,26H,2-3,8H2,1H3,(H,21,27)(H,22,25)(H,23,28)