N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-19-14-4-3-13(11-15(14)21(23)24)18(22)20-7-6-12-2-5-16-17(10-12)26-9-8-25-16/h2-5,10-11,19H,6-9H2,1H3,(H,20,22)