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

Systemtic Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxo-ethyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[2-(1,4-diazepan-1-yl)-2-keto-ethyl]phenyl]-4-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c25-19(23-12-3-10-21-11-13-23)14-16-4-1-2-5-18(16)22-20(26)15-6-8-17(9-7-15)24(27)28/h1-2,4-9,21H,3,10-14H2,(H,22,26)