3-nitro-N-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[[4-(3-pyridylmethoxy)phenyl]methylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[4-(3-pyridinylmethoxy)phenyl]methylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[4-(3-pyridylmethoxy)benzyl]amino]ethyl]-3-nitro-benzamide Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCC2=CC=C(C=C2)OCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCC2=CC=C(C=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C22H20N4O5/c27-21(14-25-22(28)18-4-1-5-19(11-18)26(29)30)24-13-16-6-8-20(9-7-16)31-15-17-3-2-10-23-12-17/h1-12H,13-15H2,(H,24,27)(H,25,28)