ethyl 3-(hydroxymethyl)-1,5-dimethyl-4-nitro-indole-2-carboxylate

Systemtic Name: ethyl 3-(hydroxymethyl)-1,5-dimethyl-4-nitro-indole-2-carboxylate Openeye Name: ethyl 3-(hydroxymethyl)-1,5-dimethyl-4-nitro-indole-2-carboxylate CAS Name: 3-(hydroxymethyl)-1,5-dimethyl-4-nitro-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(hydroxymethyl)-1,5-dimethyl-4-nitroindole-2-carboxylate Traditional Name: 1,5-dimethyl-3-methylol-4-nitro-indole-2-carboxylic acid ethyl ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])C)CO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2[N+](=O)[O-])C)CO

InChI

InChI=1S/C14H16N2O5/c1-4-21-14(18)13-9(7-17)11-10(15(13)3)6-5-8(2)12(11)16(19)20/h5-6,17H,4,7H2,1-3H3