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

Systemtic Name: N-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c26-20(15-22-21(27)16-6-5-7-19(14-16)25(28)29)23-17-8-10-18(11-9-17)24-12-3-1-2-4-13-24/h5-11,14H,1-4,12-13,15H2,(H,22,27)(H,23,26)