tert-butyl (3R)-3-methyl-3-[(E,2S)-1-nitrooct-3-en-2-yl]-2-oxidanylidene-indole-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-methyl-3-[(E,2S)-1-nitrooct-3-en-2-yl]-2-oxidanylidene-indole-1-carboxylate Openeye Name: tert-butyl (3R)-3-methyl-3-[(E,1S)-1-(nitromethyl)hept-2-enyl]-2-oxo-indoline-1-carboxylate CAS Name: (3R)-3-methyl-3-[(E,2S)-1-nitrooct-3-en-2-yl]-2-oxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-methyl-3-[(E,2S)-1-nitrooct-3-en-2-yl]-2-oxoindole-1-carboxylate Traditional Name: (3R)-2-keto-3-methyl-3-[(E,1S)-1-(nitromethyl)hept-2-enyl]indoline-1-carboxylic acid tert-butyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C[N+](=O)[O-])C1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCC/C=C/[C@H](C[N+](=O)[O-])[C@@]1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H30N2O5/c1-6-7-8-9-12-16(15-23(27)28)22(5)17-13-10-11-14-18(17)24(19(22)25)20(26)29-21(2,3)4/h9-14,16H,6-8,15H2,1-5H3/b12-9+/t16-,22-/m1/s1