6-[[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-methyl-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-methyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-methyl-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-methyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-methyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-methyl-2-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C25H23N3O4 MolecularWeight: 429.46782

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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-])C

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-])C

InChI

InChI=1S/C25H23N3O4/c1-4-16(3)17-8-9-23-21(13-17)27-25(32-23)18-6-5-7-20(12-18)26-14-19-10-15(2)11-22(24(19)29)28(30)31/h5-14,16,26H,4H2,1-3H3