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

Systemtic Name: [2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C15H11Cl2N3O5 MolecularWeight: 384.17094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11Cl2N3O5/c1-8-2-3-9(4-12(8)20(23)24)15(22)25-7-13(21)19-14-11(17)5-10(16)6-18-14/h2-6H,7H2,1H3,(H,18,19,21)