[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H17ClN2O7 MolecularWeight: 408.78978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)Cl)O

InChI

InChI=1S/C18H17ClN2O7/c1-3-27-14-8-11(7-12(19)17(14)23)18(24)28-9-15(22)20-16-10(2)5-4-6-13(16)21(25)26/h4-8,23H,3,9H2,1-2H3,(H,20,22)