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

Systemtic Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-3-(2-hydroxyphenyl)propanamide Openeye Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-3-(2-hydroxyphenyl)propanamide CAS Name: N-[(E)-[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-3-(2-hydroxyphenyl)propanamide IUPAC Name: N-[(E)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-3-(2-hydroxyphenyl)propanamide Traditional Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-3-(2-hydroxyphenyl)propionamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CCC3=CC=CC=C3O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C22H26N4O4/c27-21-8-4-3-7-17(21)9-12-22(28)24-23-16-18-15-19(26(29)30)10-11-20(18)25-13-5-1-2-6-14-25/h3-4,7-8,10-11,15-16,27H,1-2,5-6,9,12-14H2,(H,24,28)/b23-16+