3-dodecanoyl-1-methyl-5-nitro-indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyl-1-methyl-5-nitro-indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1-methyl-5-nitro-indole-2-carboxylic acid CAS Name: 1-methyl-5-nitro-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-1-methyl-5-nitroindole-2-carboxylic acid Traditional Name: 3-lauroyl-1-methyl-5-nitro-indole-2-carboxylic acid Formula: C22H30N2O5 MolecularWeight: 402.484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C22H30N2O5/c1-3-4-5-6-7-8-9-10-11-12-19(25)20-17-15-16(24(28)29)13-14-18(17)23(2)21(20)22(26)27/h13-15H,3-12H2,1-2H3,(H,26,27)