2-chloranyl-5-cyclopropyl-6-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-chloranyl-5-cyclopropyl-6-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-chloro-5-cyclopropyl-6-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]pyridine-3-carboxylic acid CAS Name: 2-chloro-5-cyclopropyl-6-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-chloro-5-cyclopropyl-6-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]pyridine-3-carboxylic acid Traditional Name: 2-chloro-5-cyclopropyl-6-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]nicotinic acid Formula: C19H18ClN3O8 MolecularWeight: 451.81452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NC2=C(C=C(C(=N2)Cl)C(=O)O)C3CC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NC2=C(C=C(C(=N2)Cl)C(=O)O)C3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18ClN3O8/c1-29-14-5-10(13(23(27)28)7-15(14)30-2)8-31-19(26)22-17-11(9-3-4-9)6-12(18(24)25)16(20)21-17/h5-7,9H,3-4,8H2,1-2H3,(H,24,25)(H,21,22,26)