(E)-2-(azepan-1-ylcarbonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c18-10-13(17(21)19-5-3-1-2-4-6-19)7-12-8-15-16(25-11-24-15)9-14(12)20(22)23/h7-9H,1-6,11H2/b13-7+