methyl 1-(4-chloranylbutyl)-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole-3-carboxylate

Systemtic Name: methyl 1-(4-chloranylbutyl)-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole-3-carboxylate Openeye Name: methyl 1-(4-chlorobutyl)-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole-3-carboxylate CAS Name: 1-(4-chlorobutyl)-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorobutyl)-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole-3-carboxylate Traditional Name: 1-(4-chlorobutyl)-2-(4-nitrophenyl)-4,5,6,7-tetrahydroindole-3-carboxylic acid methyl ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=C1CCCC2)CCCCCl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(N(C2=C1CCCC2)CCCCCl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN2O4/c1-27-20(24)18-16-6-2-3-7-17(16)22(13-5-4-12-21)19(18)14-8-10-15(11-9-14)23(25)26/h8-11H,2-7,12-13H2,1H3