N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-nitro-thiophene-2-carboxamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-11(2)17(19-18(21)15-6-7-16(26-15)20(22)23)12-4-5-13-14(10-12)25-9-3-8-24-13/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,19,21)/t17-/m1/s1