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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O4/c1-2-13-6-7-20-18(8-13)25-22(30-20)14-4-3-5-17(10-14)24-12-15-9-16(23)11-19(21(15)27)26(28)29/h3-12,24H,2H2,1H3