methyl 2-ethyl-5-methoxy-4-nitro-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: methyl 2-ethyl-5-methoxy-4-nitro-1-(phenylmethyl)indole-3-carboxylate Openeye Name: methyl 1-benzyl-2-ethyl-5-methoxy-4-nitro-indole-3-carboxylate CAS Name: 2-ethyl-5-methoxy-4-nitro-1-(phenylmethyl)-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-2-ethyl-5-methoxy-4-nitroindole-3-carboxylate Traditional Name: 1-benzyl-2-ethyl-5-methoxy-4-nitro-indole-3-carboxylic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2[N+](=O)[O-])OC)C(=O)OC

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2[N+](=O)[O-])OC)C(=O)OC

InChI

InChI=1S/C20H20N2O5/c1-4-14-18(20(23)27-3)17-15(10-11-16(26-2)19(17)22(24)25)21(14)12-13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3