tert-butyl 2-(2-nitroprop-2-enyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-nitroprop-2-enyl)indole-1-carboxylate Openeye Name: tert-butyl 2-(2-nitroallyl)indole-1-carboxylate CAS Name: 2-(2-nitroprop-2-enyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-nitroprop-2-enyl)indole-1-carboxylate Traditional Name: 2-(2-nitroallyl)indole-1-carboxylic acid tert-butyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CC(=C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CC(=C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-11(18(20)21)9-13-10-12-7-5-6-8-14(12)17(13)15(19)22-16(2,3)4/h5-8,10H,1,9H2,2-4H3