ethyl 3-[[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-5-29-21(25)16-10-15(11-17(12-16)23(26)27)20(24)22-19(13(2)3)14-6-8-18(28-4)9-7-14/h6-13,19H,5H2,1-4H3,(H,22,24)/t19-/m1/s1