N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(1,3-benzodioxol-5-yl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(1,3-benzodioxol-5-yl)vinyl]-3-nitro-benzamide Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6/c27-22(17-6-5-7-18(14-17)26(29)30)24-19(23(28)25-10-3-1-2-4-11-25)12-16-8-9-20-21(13-16)32-15-31-20/h5-9,12-14H,1-4,10-11,15H2,(H,24,27)/b19-12-