ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[[(4-nitrophenyl)amino]methyl]indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[[(4-nitrophenyl)amino]methyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-[(4-nitroanilino)methyl]indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[(4-nitroanilino)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-[(4-nitroanilino)methyl]indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[(4-nitroanilino)methyl]indole-3-carboxylic acid ethyl ester Formula: C21H20BrN3O6 MolecularWeight: 490.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN3O6/c1-4-30-21(27)20-15-9-19(31-12(2)26)16(22)10-17(15)24(3)18(20)11-23-13-5-7-14(8-6-13)25(28)29/h5-10,23H,4,11H2,1-3H3