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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-2-[(4-nitrophenoxy)methyl]-5-oxidanyl-indole-3-carboxylate hydrate hydrochloride Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylate hydrate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]-3-indolecarboxylic acid ethyl ester hydrate hydrochloride IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylate hydrate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(4-nitrophenoxy)methyl]indole-3-carboxylic acid ethyl ester hydrate hydrochloride Formula: C22H27BrClN3O7 MolecularWeight: 560.82268

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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-].O.Cl

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-].O.Cl

InChI

InChI=1S/C22H24BrN3O6.ClH.H2O/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;1H;1H2