(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-methyl-3-nitro-phenyl)acrylamide Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5/c1-12-15(4-2-5-16(12)22(24)25)21-18(23)7-6-13-10-14(20)19-17(11-13)26-8-3-9-27-19/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,23)/b7-6+