1-[4-(diethylazaniumyl)phenyl]-3-ethoxycarbonyl-2-methyl-benzo[g]indol-5-olate

Systemtic Name: 1-[4-(diethylazaniumyl)phenyl]-3-ethoxycarbonyl-2-methyl-benzo[g]indol-5-olate Openeye Name: 1-[4-(diethylammonio)phenyl]-3-ethoxycarbonyl-2-methyl-benzo[g]indol-5-olate CAS Name: 1-[4-(diethylammonio)phenyl]-3-ethoxycarbonyl-2-methyl-5-benzo[g]indololate IUPAC Name: 1-[4-(diethylazaniumyl)phenyl]-3-ethoxycarbonyl-2-methylbenzo[g]indol-5-olate Traditional Name: 3-carbethoxy-1-[4-(diethylammonio)phenyl]-2-methyl-benz[g]indol-5-olate Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC=C(C=C1)N2C(=C(C3=C2C4=CC=CC=C4C(=C3)[O-])C(=O)OCC)C

Isomeric SMILES

CC[NH+](CC)C1=CC=C(C=C1)N2C(=C(C3=C2C4=CC=CC=C4C(=C3)[O-])C(=O)OCC)C

InChI

InChI=1S/C26H28N2O3/c1-5-27(6-2)18-12-14-19(15-13-18)28-17(4)24(26(30)31-7-3)22-16-23(29)20-10-8-9-11-21(20)25(22)28/h8-16,29H,5-7H2,1-4H3