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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O8 MolecularWeight: 466.86892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OC(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OC(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN2O8/c1-5-30-14-6-7-16(17(10-14)24(27)28)23-19(25)11-31-21(26)13-8-15(22)20(32-12(2)3)18(9-13)29-4/h6-10,12H,5,11H2,1-4H3,(H,23,25)