(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 2-chloranyl-5-nitro-benzoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C13H8ClN3O7 MolecularWeight: 353.67152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClN3O7/c1-6-4-10(11(17(22)23)12(18)15-6)24-13(19)8-5-7(16(20)21)2-3-9(8)14/h2-5H,1H3,(H,15,18)