N-[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxy-3-nitro-benzamide Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O6/c1-25-15-3-2-12(10-14(15)21(23)24)18(22)20-5-4-11-8-13(19)17-16(9-11)26-6-7-27-17/h2-3,8-10H,4-7H2,1H3,(H,20,22)