N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(1,4-diazepan-1-yl)-1-methyl-2-oxo-ethyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[2-(1,4-diazepan-1-yl)-2-keto-1-methyl-ethyl]phenyl]-4-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCCNCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCCNCC3

InChI

InChI=1S/C21H24N4O4/c1-15(21(27)24-13-2-11-22-12-14-24)16-3-7-18(8-4-16)23-20(26)17-5-9-19(10-6-17)25(28)29/h3-10,15,22H,2,11-14H2,1H3,(H,23,26)