(E)-N-[4-(azepan-1-yl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c27-22(24-19-6-8-20(9-7-19)25-11-3-1-2-4-12-25)10-5-17-13-21(26(28)29)14-18-15-30-16-31-23(17)18/h5-10,13-14H,1-4,11-12,15-16H2,(H,24,27)/b10-5+