ethyl 3-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-2-carboxylate CAS Name: 3-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-methylol-4-nitro-1H-indole-2-carboxylic acid ethyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2[N+](=O)[O-])C)CO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2[N+](=O)[O-])C)CO

InChI

InChI=1S/C13H14N2O5/c1-3-20-13(17)11-8(6-16)10-9(14-11)5-4-7(2)12(10)15(18)19/h4-5,14,16H,3,6H2,1-2H3