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

Systemtic Name: 6-[[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 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]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C24H21N3O4 MolecularWeight: 415.44124

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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=CC=C(C4=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c1-3-15(2)16-10-11-22-20(13-16)26-24(31-22)17-6-4-8-19(12-17)25-14-18-7-5-9-21(23(18)28)27(29)30/h4-15,25H,3H2,1-2H3