[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H14ClN3O7 MolecularWeight: 395.75126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14ClN3O7/c1-25-12-6-9(11(20(23)24)7-13(12)26-2)16(22)27-8-14(21)19-10-4-3-5-18-15(10)17/h3-7H,8H2,1-2H3,(H,19,21)