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

Systemtic Name: ethyl 1-(4-chloranyl-2-nitro-phenyl)-5-methyl-3-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-methyl-indole-2-carboxylate CAS Name: 1-(4-chloro-2-nitrophenyl)-5-methyl-3-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(4-chloro-2-nitrophenyl)-5-methylindole-2-carboxylate Traditional Name: 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-methyl-indole-2-carboxylic acid ethyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C=CC(=C2)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C=CC(=C2)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4/c1-3-32-25(29)24-20(14-17-7-5-4-6-8-17)19-13-16(2)9-11-21(19)27(24)22-12-10-18(26)15-23(22)28(30)31/h4-13,15H,3,14H2,1-2H3