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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NNC(=O)CCCNC(=O)C2=CC(=CC=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)6-3-7-21-18(27)11-4-2-5-13(8-11)24(29)30/h2,4-5,8-10,26H,3,6-7H2,1H3,(H,21,27)(H,22,25)(H,23,28)