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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-2-[(4-nitrophenoxy)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylic acid ethyl ester Formula: C22H24BrN3O6 MolecularWeight: 506.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O6/c1-5-31-22(28)20-18(12-32-14-8-6-13(7-9-14)26(29)30)25(4)17-10-16(23)21(27)15(19(17)20)11-24(2)3/h6-10,27H,5,11-12H2,1-4H3