ethyl 5-methyl-1-(2-nitrophenyl)-3-(phenylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 5-methyl-1-(2-nitrophenyl)-3-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-1-(2-nitrophenyl)indole-2-carboxylate CAS Name: 5-methyl-1-(2-nitrophenyl)-3-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-methyl-1-(2-nitrophenyl)indole-2-carboxylate Traditional Name: 3-benzyl-5-methyl-1-(2-nitrophenyl)indole-2-carboxylic acid ethyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4/c1-3-31-25(28)24-20(16-18-9-5-4-6-10-18)19-15-17(2)13-14-21(19)26(24)22-11-7-8-12-23(22)27(29)30/h4-15H,3,16H2,1-2H3