methyl 4-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-14-5-7-15(8-6-14)13(2)21-19(23)12-28-18-10-9-16(20(24)27-3)11-17(18)22(25)26/h5-11,13H,4,12H2,1-3H3,(H,21,23)/t13-/m0/s1