3-(1-methyl-5-nitro-indol-4-yl)propanoic acid

Systemtic Name: 3-(1-methyl-5-nitro-indol-4-yl)propanoic acid Openeye Name: 3-(1-methyl-5-nitro-indol-4-yl)propanoic acid CAS Name: 3-(1-methyl-5-nitro-4-indolyl)propanoic acid IUPAC Name: 3-(1-methyl-5-nitroindol-4-yl)propanoic acid Traditional Name: 3-(1-methyl-5-nitro-indol-4-yl)propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2CCC(=O)O)[N+](=O)[O-]

InChI

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