3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)benzofuran-2-carboxamide CAS Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)coumarilamide Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C19H16N2O6/c1-11-12-5-2-3-6-15(12)27-18(11)19(22)20-13-9-16-17(10-14(13)21(23)24)26-8-4-7-25-16/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,22)