methyl 5-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[2-(5-bromanyl-3-methanoyl-indol-1-yl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(5-bromo-3-formyl-1-indolyl)-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(5-bromo-3-formylindol-1-yl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(5-bromo-3-formyl-indol-1-yl)acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C19H14BrClN2O4 MolecularWeight: 449.68246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C=O)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CN2C=C(C3=C2C=CC(=C3)Br)C=O)Cl

InChI

InChI=1S/C19H14BrClN2O4/c1-27-19(26)15-7-13(3-4-16(15)21)22-18(25)9-23-8-11(10-24)14-6-12(20)2-5-17(14)23/h2-8,10H,9H2,1H3,(H,22,25)