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

Systemtic Name: 6-[[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-2-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-chloro-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-2-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O4/c1-3-14(2)15-7-8-22-20(11-15)27-24(32-22)16-5-4-6-19(10-16)26-13-17-9-18(25)12-21(23(17)29)28(30)31/h4-14,26H,3H2,1-2H3