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

Systemtic Name: 6-[[[3-(1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-chloranyl-3,5-dimethyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylene]-4-chloro-3,5-dimethyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylidene]-4-chloro-3,5-dimethyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylidene]-4-chloro-3,5-dimethyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylene]-4-chloro-3,5-dimethyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C22H16ClN3O4/c1-12-16(21(27)20(26(28)29)13(2)19(12)23)11-24-15-7-5-6-14(10-15)22-25-17-8-3-4-9-18(17)30-22/h3-11,24H,1-2H3