N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-3-nitro-benzamide Formula: C20H21N5O5 MolecularWeight: 411.41124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c26-20(15-6-5-7-17(12-15)24(27)28)22-21-14-16-13-18(25(29)30)8-9-19(16)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,22,26)/b21-14+