ethyl 3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=C(C=CC(=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N[C@H](C)C2=C(C=CC(=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-5-29-20(24)14-8-13(9-15(10-14)22(25)26)19(23)21-12(2)17-11-16(27-3)6-7-18(17)28-4/h6-12H,5H2,1-4H3,(H,21,23)/t12-/m1/s1