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

Systemtic Name: 6-[[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-methoxy-4-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-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-methoxy-4-nitro-6-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C25H23N3O5 MolecularWeight: 445.46722

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5/c1-4-15(2)16-8-9-22-21(12-16)27-25(33-22)17-6-5-7-19(10-17)26-14-18-11-20(28(30)31)13-23(32-3)24(18)29/h5-15,26H,4H2,1-3H3