4-[1-(2,3-dimethyl-5-nitro-phenyl)carbonylindol-3-yl]butanoic acid

Systemtic Name: 4-[1-(2,3-dimethyl-5-nitro-phenyl)carbonylindol-3-yl]butanoic acid Openeye Name: 4-[1-(2,3-dimethyl-5-nitro-benzoyl)indol-3-yl]butanoic acid CAS Name: 4-[1-[(2,3-dimethyl-5-nitrophenyl)-oxomethyl]-3-indolyl]butanoic acid IUPAC Name: 4-[1-(2,3-dimethyl-5-nitrobenzoyl)indol-3-yl]butanoic acid Traditional Name: 4-[1-(2,3-dimethyl-5-nitro-benzoyl)indol-3-yl]butyric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)O)C

InChI

InChI=1S/C21H20N2O5/c1-13-10-16(23(27)28)11-18(14(13)2)21(26)22-12-15(6-5-9-20(24)25)17-7-3-4-8-19(17)22/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H,24,25)