2-chloranyl-5-cyclopropyl-1-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-(2-fluoranylethanoyl)amino]-2H-pyridine-3-carboxylic acid

Systemtic Name: 2-chloranyl-5-cyclopropyl-1-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-(2-fluoranylethanoyl)amino]-2H-pyridine-3-carboxylic acid Openeye Name: 2-chloro-5-cyclopropyl-1-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-(2-fluoroacetyl)amino]-2H-pyridine-3-carboxylic acid CAS Name: 2-chloro-5-cyclopropyl-1-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]-(2-fluoro-1-oxoethyl)amino]-2H-pyridine-3-carboxylic acid IUPAC Name: 2-chloro-5-cyclopropyl-1-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl-(2-fluoroacetyl)amino]-2H-pyridine-3-carboxylic acid Traditional Name: 2-chloro-5-cyclopropyl-1-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonyl-(2-fluoroacetyl)amino]-2H-pyridine-3-carboxylic acid Formula: C21H21ClFN3O9 MolecularWeight: 513.857543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N(C(=O)CF)N2C=C(C=C(C2Cl)C(=O)O)C3CC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N(C(=O)CF)N2C=C(C=C(C2Cl)C(=O)O)C3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21ClFN3O9/c1-33-16-6-13(15(26(31)32)7-17(16)34-2)10-35-21(30)25(18(27)8-23)24-9-12(11-3-4-11)5-14(19(24)22)20(28)29/h5-7,9,11,19H,3-4,8,10H2,1-2H3,(H,28,29)