methyl 1-[(2-chlorophenyl)methyl]-3-nitro-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-3-nitro-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-3-nitro-2-propyl-indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3-nitro-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-3-nitro-2-propylindole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3-nitro-2-propyl-indole-6-carboxylic acid methyl ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O4/c1-3-6-17-19(23(25)26)15-10-9-13(20(24)27-2)11-18(15)22(17)12-14-7-4-5-8-16(14)21/h4-5,7-11H,3,6,12H2,1-2H3