(4E)-7-methyl-4-[[4-(methylamino)-3-nitro-phenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4E)-7-methyl-4-[[4-(methylamino)-3-nitro-phenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-7-methyl-4-[[4-(methylamino)-3-nitro-phenyl]methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-7-methyl-4-[[4-(methylamino)-3-nitrophenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-7-methyl-4-[[4-(methylamino)-3-nitrophenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-7-methyl-4-[4-(methylamino)-3-nitro-benzylidene]-2,3-dihydro-1-benzoxepin-5-one Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCC(=CC3=CC(=C(C=C3)NC)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)OCC/C(=C\C3=CC(=C(C=C3)NC)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C19H18N2O4/c1-12-3-6-18-15(9-12)19(22)14(7-8-25-18)10-13-4-5-16(20-2)17(11-13)21(23)24/h3-6,9-11,20H,7-8H2,1-2H3/b14-10+