1-chloroethyl (3aR,7aS)-3a-(2-nitrophenyl)-4-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate

Systemtic Name: 1-chloroethyl (3aR,7aS)-3a-(2-nitrophenyl)-4-oxidanylidene-2,3,7,7a-tetrahydroindole-1-carboxylate Openeye Name: 1-chloroethyl (3aR,7aS)-3a-(2-nitrophenyl)-4-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate CAS Name: (3aR,7aS)-3a-(2-nitrophenyl)-4-oxo-2,3,7,7a-tetrahydroindole-1-carboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl (3aR,7aS)-3a-(2-nitrophenyl)-4-oxo-2,3,7,7a-tetrahydroindole-1-carboxylate Traditional Name: (3aR,7aS)-4-keto-3a-(2-nitrophenyl)-2,3,7,7a-tetrahydroindole-1-carboxylic acid 1-chloroethyl ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1CCC2(C1CC=CC2=O)C3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC(OC(=O)N1CC[C@]2([C@@H]1CC=CC2=O)C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O5/c1-11(18)25-16(22)19-10-9-17(14(19)7-4-8-15(17)21)12-5-2-3-6-13(12)20(23)24/h2-6,8,11,14H,7,9-10H2,1H3/t11?,14-,17+/m0/s1