[2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C16H13Cl2N3O6 MolecularWeight: 414.19692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13Cl2N3O6/c1-8-10(17)6-19-15(14(8)18)20-13(22)7-27-16(23)9-3-4-12(26-2)11(5-9)21(24)25/h3-6H,7H2,1-2H3,(H,19,20,22)