6-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H13Cl2N3O5 MolecularWeight: 458.25102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H13Cl2N3O5/c1-30-19-9-14(26(28)29)6-12(20(19)27)10-24-13-3-5-18-17(8-13)25-21(31-18)11-2-4-15(22)16(23)7-11/h2-10,24H,1H3