(4Z)-9-methyl-4-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4Z)-9-methyl-4-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4Z)-4-[(4-hydroxy-3-nitro-phenyl)methylene]-9-methyl-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4Z)-4-[(4-hydroxy-3-nitrophenyl)methylidene]-9-methyl-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4Z)-4-[(4-hydroxy-3-nitrophenyl)methylidene]-9-methyl-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4Z)-4-(4-hydroxy-3-nitro-benzylidene)-9-methyl-2,3-dihydro-1-benzoxepin-5-one Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCC(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC=CC2=C1OCC/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C18H15NO5/c1-11-3-2-4-14-17(21)13(7-8-24-18(11)14)9-12-5-6-16(20)15(10-12)19(22)23/h2-6,9-10,20H,7-8H2,1H3/b13-9-