7-[(dimethylazaniumyl)methyl]-3-[(4-ethoxycarbonylphenoxy)methyl]-1,2-benzoxazol-6-olate

Systemtic Name: 7-[(dimethylazaniumyl)methyl]-3-[(4-ethoxycarbonylphenoxy)methyl]-1,2-benzoxazol-6-olate Openeye Name: 7-[(dimethylammonio)methyl]-3-[(4-ethoxycarbonylphenoxy)methyl]-1,2-benzoxazol-6-olate CAS Name: 7-[(dimethylammonio)methyl]-3-[(4-ethoxycarbonylphenoxy)methyl]-1,2-benzoxazol-6-olate IUPAC Name: 7-[(dimethylazaniumyl)methyl]-3-[(4-ethoxycarbonylphenoxy)methyl]-1,2-benzoxazol-6-olate Traditional Name: 3-[(4-carbethoxyphenoxy)methyl]-7-[(dimethylammonio)methyl]indoxazen-6-olate Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2=NOC3=C2C=CC(=C3C[NH+](C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2=NOC3=C2C=CC(=C3C[NH+](C)C)[O-]

InChI

InChI=1S/C20H22N2O5/c1-4-25-20(24)13-5-7-14(8-6-13)26-12-17-15-9-10-18(23)16(11-22(2)3)19(15)27-21-17/h5-10,23H,4,11-12H2,1-3H3