ethyl (3aR,7aS)-1,2-dimethyl-5-(2-methyl-3-nitro-phenyl)carbonyloxy-3a,7a-dihydroindole-3-carboxylate

Systemtic Name: ethyl (3aR,7aS)-1,2-dimethyl-5-(2-methyl-3-nitro-phenyl)carbonyloxy-3a,7a-dihydroindole-3-carboxylate Openeye Name: ethyl (3aR,7aS)-1,2-dimethyl-5-(2-methyl-3-nitro-benzoyl)oxy-3a,7a-dihydroindole-3-carboxylate CAS Name: (3aR,7aS)-1,2-dimethyl-5-[(2-methyl-3-nitrophenyl)-oxomethoxy]-3a,7a-dihydroindole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-1,2-dimethyl-5-(2-methyl-3-nitrobenzoyl)oxy-3a,7a-dihydroindole-3-carboxylate Traditional Name: (3aR,7aS)-1,2-dimethyl-5-(2-methyl-3-nitro-benzoyl)oxy-3a,7a-dihydroindole-3-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2C1C=C(C=C2)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N([C@@H]2[C@@H]1C=C(C=C2)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C21H22N2O6/c1-5-28-21(25)19-13(3)22(4)18-10-9-14(11-16(18)19)29-20(24)15-7-6-8-17(12(15)2)23(26)27/h6-11,16,18H,5H2,1-4H3/t16-,18-/m0/s1