[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H14Cl2N2O5 MolecularWeight: 397.20946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2Cl)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2Cl)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14Cl2N2O5/c1-9-3-5-11(7-13(9)21(24)25)17(23)26-8-14(22)20-16-12(18)6-4-10(2)15(16)19/h3-7H,8H2,1-2H3,(H,20,22)