2-[8-bromanyl-1-ethoxycarbonyl-2-methyl-4,5-bis(oxidanylidene)benzo[e]indol-3-yl]ethanoic acid

Systemtic Name: 2-[8-bromanyl-1-ethoxycarbonyl-2-methyl-4,5-bis(oxidanylidene)benzo[e]indol-3-yl]ethanoic acid Openeye Name: 2-(8-bromo-1-ethoxycarbonyl-2-methyl-4,5-dioxo-benzo[e]indol-3-yl)acetic acid CAS Name: 2-(8-bromo-1-ethoxycarbonyl-2-methyl-4,5-dioxo-3-benzo[e]indolyl)acetic acid IUPAC Name: 2-(8-bromo-1-ethoxycarbonyl-2-methyl-4,5-dioxobenzo[e]indol-3-yl)acetic acid Traditional Name: 2-(8-bromo-1-carbethoxy-4,5-diketo-2-methyl-benz[e]indol-3-yl)acetic acid Formula: C18H14BrNO6 MolecularWeight: 420.21086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C3=C(C=CC(=C3)Br)C(=O)C2=O)CC(=O)O)C

InChI

InChI=1S/C18H14BrNO6/c1-3-26-18(25)13-8(2)20(7-12(21)22)15-14(13)11-6-9(19)4-5-10(11)16(23)17(15)24/h4-6H,3,7H2,1-2H3,(H,21,22)