1-(azepan-1-yl)-2-[(Z)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]oxy-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(Z)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]oxy-ethanone Openeye Name: 1-(azepan-1-yl)-2-[(Z)-(4-morpholino-3-nitro-phenyl)methyleneamino]oxy-ethanone CAS Name: 1-(1-azepanyl)-2-[(Z)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]oxyethanone IUPAC Name: 1-(azepan-1-yl)-2-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxyethanone Traditional Name: 1-(azepan-1-yl)-2-[(Z)-(4-morpholino-3-nitro-benzylidene)amino]oxy-ethanone Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CON=CC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CO/N=C\C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5/c24-19(22-7-3-1-2-4-8-22)15-28-20-14-16-5-6-17(18(13-16)23(25)26)21-9-11-27-12-10-21/h5-6,13-14H,1-4,7-12,15H2/b20-14-