2-bromanyl-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide CAS Name: 2-bromo-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[(4E)-3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)/N2

InChI

InChI=1S/C21H14BrN3O5/c1-11-2-7-19-17(8-11)24-21(30-19)14-5-3-12(9-18(14)26)23-20(27)15-10-13(25(28)29)4-6-16(15)22/h2-10,24H,1H3,(H,23,27)/b21-14+