2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one

Systemtic Name: 2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one Openeye Name: 2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one CAS Name: 2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one IUPAC Name: 2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one Traditional Name: 2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=O)OC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C=C(C(=O)OC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H13NO4/c20-18-16(13-5-2-1-3-6-13)7-4-8-17(23-18)14-9-11-15(12-10-14)19(21)22/h1-3,5-12H,4H2