(3E)-5,7-dimethyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one

Systemtic Name: (3E)-5,7-dimethyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Openeye Name: (3E)-5,7-dimethyl-3-[(4-nitrophenyl)methylene]-1,3-benzoxazol-3-ium-2-one CAS Name: (3E)-5,7-dimethyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one IUPAC Name: (3E)-5,7-dimethyl-3-[(4-nitrophenyl)methylidene]-1,3-benzoxazol-3-ium-2-one Traditional Name: (3E)-5,7-dimethyl-3-(4-nitrobenzylidene)-1,3-benzoxazol-3-ium-2-one Formula: C16H13N2O4+ MolecularWeight: 297.28542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)/[N+](=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)O2)C

InChI

InChI=1S/C16H13N2O4/c1-10-7-11(2)15-14(8-10)17(16(19)22-15)9-12-3-5-13(6-4-12)18(20)21/h3-9H,1-2H3/q+1/b17-9+