4-(azepan-1-yl)-N'-(2-methylphenyl)carbonyl-3-nitro-benzohydrazide

Systemtic Name: 4-(azepan-1-yl)-N'-(2-methylphenyl)carbonyl-3-nitro-benzohydrazide Openeye Name: 4-(azepan-1-yl)-N'-(2-methylbenzoyl)-3-nitro-benzohydrazide CAS Name: 4-(1-azepanyl)-N'-[(2-methylphenyl)-oxomethyl]-3-nitrobenzohydrazide IUPAC Name: 4-(azepan-1-yl)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide Traditional Name: 4-(azepan-1-yl)-3-nitro-N'-o-toluoyl-benzohydrazide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15-8-4-5-9-17(15)21(27)23-22-20(26)16-10-11-18(19(14-16)25(28)29)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,26)(H,23,27)