methyl 3-(2-methylpropanoyl)-1-[(2-nitrophenyl)methyl]-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 3-(2-methylpropanoyl)-1-[(2-nitrophenyl)methyl]-2-propyl-indole-6-carboxylate Openeye Name: methyl 3-(2-methylpropanoyl)-1-[(2-nitrophenyl)methyl]-2-propyl-indole-6-carboxylate CAS Name: 3-(2-methyl-1-oxopropyl)-1-[(2-nitrophenyl)methyl]-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoyl)-1-[(2-nitrophenyl)methyl]-2-propylindole-6-carboxylate Traditional Name: 3-isobutyryl-1-(2-nitrobenzyl)-2-propyl-indole-6-carboxylic acid methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C24H26N2O5/c1-5-8-20-22(23(27)15(2)3)18-12-11-16(24(28)31-4)13-21(18)25(20)14-17-9-6-7-10-19(17)26(29)30/h6-7,9-13,15H,5,8,14H2,1-4H3