(E)-4-[5-chloranyl-1-[(4-methoxycarbonylphenyl)methyl]indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[5-chloranyl-1-[(4-methoxycarbonylphenyl)methyl]indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-chloro-1-[(4-methoxycarbonylphenyl)methyl]indol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-chloro-1-[(4-methoxycarbonylphenyl)methyl]-3-indolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-chloro-1-[(4-methoxycarbonylphenyl)methyl]indol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[1-(4-carbomethoxybenzyl)-5-chloro-indol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C21H16ClNO6 MolecularWeight: 413.80784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Cl)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C21H16ClNO6/c1-29-21(28)13-4-2-12(3-5-13)10-23-11-16(18(24)9-19(25)20(26)27)15-8-14(22)6-7-17(15)23/h2-9,11,24H,10H2,1H3,(H,26,27)/b18-9+