6-[[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N3O4/c1-13-8-14(2)21-19(9-13)24-22(29-21)15-4-3-5-17(10-15)23-12-16-11-18(25(27)28)6-7-20(16)26/h3-12,23H,1-2H3