2-(4,6-dimethyl-2-nitro-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4,6-dimethyl-2-nitro-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4,6-dimethyl-2-nitro-1H-indol-3-yl)acetic acid CAS Name: 2-(4,6-dimethyl-2-nitro-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4,6-dimethyl-2-nitro-1H-indol-3-yl)acetic acid Traditional Name: 2-(4,6-dimethyl-2-nitro-1H-indol-3-yl)acetic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C2CC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C2CC(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C12H12N2O4/c1-6-3-7(2)11-8(5-10(15)16)12(14(17)18)13-9(11)4-6/h3-4,13H,5H2,1-2H3,(H,15,16)