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

Systemtic Name: ethyl 3-(hydroxymethyl)-5-methoxy-4-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-(hydroxymethyl)-5-methoxy-4-nitro-1H-indole-2-carboxylate CAS Name: 3-(hydroxymethyl)-5-methoxy-4-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(hydroxymethyl)-5-methoxy-4-nitro-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-methylol-4-nitro-1H-indole-2-carboxylic acid ethyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-3-21-13(17)11-7(6-16)10-8(14-11)4-5-9(20-2)12(10)15(18)19/h4-5,14,16H,3,6H2,1-2H3