2-(1-butyl-2-methyl-indol-3-yl)carbonyl-4-nitro-benzoic acid

Systemtic Name: 2-(1-butyl-2-methyl-indol-3-yl)carbonyl-4-nitro-benzoic acid Openeye Name: 2-(1-butyl-2-methyl-indole-3-carbonyl)-4-nitro-benzoic acid CAS Name: 2-[(1-butyl-2-methyl-3-indolyl)-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-(1-butyl-2-methylindole-3-carbonyl)-4-nitrobenzoic acid Traditional Name: 2-(1-butyl-2-methyl-indole-3-carbonyl)-4-nitro-benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C21H20N2O5/c1-3-4-11-22-13(2)19(16-7-5-6-8-18(16)22)20(24)17-12-14(23(27)28)9-10-15(17)21(25)26/h5-10,12H,3-4,11H2,1-2H3,(H,25,26)