(6E)-4-[(4-bromanyl-3-nitro-phenyl)methylideneamino]-6-(4-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-[(4-bromanyl-3-nitro-phenyl)methylideneamino]-6-(4-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-[(4-bromo-3-nitro-phenyl)methyleneamino]-6-(4-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-[(4-bromo-3-nitrophenyl)methylideneamino]-6-(4-methyl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-[(4-bromo-3-nitrophenyl)methylideneamino]-6-(4-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-[(4-bromo-3-nitro-benzylidene)amino]-6-(4-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=C3C=C(C=CC3=O)N=CC4=CC(=C(C=C4)Br)[N+](=O)[O-])N2

Isomeric SMILES

CC1=C2C(=CC=C1)O/C(=C/3\C=C(C=CC3=O)N=CC4=CC(=C(C=C4)Br)[N+](=O)[O-])/N2

InChI

InChI=1S/C21H14BrN3O4/c1-12-3-2-4-19-20(12)24-21(29-19)15-10-14(6-8-18(15)26)23-11-13-5-7-16(22)17(9-13)25(27)28/h2-11,24H,1H3/b21-15+,23-11?