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

Systemtic Name: 6-[[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-anilino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-anilino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16ClN3O5 MolecularWeight: 437.83254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC=C4C=C(C=C(C4=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC=C4C=C(C=C(C4=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O5/c1-12-3-4-13(22-25-18-9-15(23)5-6-19(18)31-22)8-17(12)24-11-14-7-16(26(28)29)10-20(30-2)21(14)27/h3-11,24H,1-2H3