6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-[(4-nitrophenoxy)methyl]indol-5-olate

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-[(4-nitrophenoxy)methyl]indol-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-[(4-nitrophenoxy)methyl]indol-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-[(4-nitrophenoxy)methyl]-5-indololate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-[(4-nitrophenoxy)methyl]indol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-1-methyl-2-[(4-nitrophenoxy)methyl]indol-5-olate 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)C[NH+](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)C[NH+](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