N-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxidanylidene-butanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxidanylidene-butanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxo-butanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxobutanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-4-oxobutanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-methyl-butyramide Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H21ClN2O6/c1-23(13-15-11-16(24(27)28)4-5-17(15)22)21(26)8-6-18(25)14-3-7-19-20(12-14)30-10-2-9-29-19/h3-5,7,11-12H,2,6,8-10,13H2,1H3