ethyl 6-bromanyl-1-methyl-2-[(4-nitrophenoxy)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-[(4-nitrophenoxy)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylic acid ethyl ester Formula: C19H17BrN2O6 MolecularWeight: 449.25208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN2O6/c1-3-27-19(24)18-13-8-17(23)14(20)9-15(13)21(2)16(18)10-28-12-6-4-11(5-7-12)22(25)26/h4-9,23H,3,10H2,1-2H3