(E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one CAS Name: (E)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-23-10-5-7-19(23)20-6-3-2-4-11-24(20)21(26)9-8-16-12-18(25(27)28)13-17-14-29-15-30-22(16)17/h5,7-10,12-13,20H,2-4,6,11,14-15H2,1H3/b9-8+