N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]-3-nitro-benzamide CAS Name: N-[4-[2-(1-azepanyl)-2-oxoethoxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]-3-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-20(23-12-3-1-2-4-13-23)15-29-19-10-8-17(9-11-19)22-21(26)16-6-5-7-18(14-16)24(27)28/h5-11,14H,1-4,12-13,15H2,(H,22,26)