2-bromanyl-N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide CAS Name: 2-bromo-N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-5-nitro-benzamide Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N/C(=C\3/C=C(C=CC3=O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)/O2)C

InChI

InChI=1S/C22H16BrN3O5/c1-11-7-12(2)20-18(8-11)25-22(31-20)16-9-13(3-6-19(16)27)24-21(28)15-10-14(26(29)30)4-5-17(15)23/h3-10,25H,1-2H3,(H,24,28)/b22-16+