N'-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyl-2,5-dimethyl-furan-3-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyl-2,5-dimethyl-furan-3-carbohydrazide Openeye Name: N'-[4-(azepan-1-yl)-3-nitro-benzoyl]-2,5-dimethyl-furan-3-carbohydrazide CAS Name: N'-[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]-2,5-dimethyl-3-furancarbohydrazide IUPAC Name: N'-[4-(azepan-1-yl)-3-nitrobenzoyl]-2,5-dimethylfuran-3-carbohydrazide Traditional Name: N'-[4-(azepan-1-yl)-3-nitro-benzoyl]-2,5-dimethyl-3-furohydrazide Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-13-11-16(14(2)29-13)20(26)22-21-19(25)15-7-8-17(18(12-15)24(27)28)23-9-5-3-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,25)(H,22,26)