N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(homopiperonylamino)-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-27-15-5-3-13(9-14(15)22(25)26)19(24)21-10-18(23)20-7-6-12-2-4-16-17(8-12)29-11-28-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,23)(H,21,24)