2-[2,5-dimethyl-3-(8-nitroquinolin-4-yl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-3-(8-nitroquinolin-4-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(8-nitro-4-quinolyl)indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-(8-nitro-4-quinolinyl)-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-(8-nitroquinolin-4-yl)indol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-(8-nitro-4-quinolyl)indol-1-yl]acetic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC=C(C4=NC=C3)[N+](=O)[O-])C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=C4C=CC=C(C4=NC=C3)[N+](=O)[O-])C)CC(=O)O

InChI

InChI=1S/C21H17N3O4/c1-12-6-7-17-16(10-12)20(13(2)23(17)11-19(25)26)14-8-9-22-21-15(14)4-3-5-18(21)24(27)28/h3-10H,11H2,1-2H3,(H,25,26)