(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-bromanylbenzoate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-bromanylbenzoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C13H9BrN2O5 MolecularWeight: 353.12496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H9BrN2O5/c1-7-6-10(11(16(19)20)12(17)15-7)21-13(18)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,17)