methyl 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N2O7/c1-4-29-18-9-13-5-12(2)30-19(13)10-16(18)11-22-20(24)14-6-15(21(25)28-3)8-17(7-14)23(26)27/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)/t12-/m0/s1