[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H21ClN2O8 MolecularWeight: 452.84234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H21ClN2O8/c1-5-30-18-14(21)8-12(9-17(18)29-4)20(25)31-11(2)19(24)22-15-10-13(23(26)27)6-7-16(15)28-3/h6-11H,5H2,1-4H3,(H,22,24)