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

Systemtic Name: (E)-4-[5-chloranyl-1-(phenylmethyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-(1-benzyl-5-chloro-indol-3-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-chloro-1-(phenylmethyl)-3-indolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-(1-benzyl-5-chloroindol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(1-benzyl-5-chloro-indol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C19H14ClNO4 MolecularWeight: 355.77176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClNO4/c20-13-6-7-16-14(8-13)15(17(22)9-18(23)19(24)25)11-21(16)10-12-4-2-1-3-5-12/h1-9,11,22H,10H2,(H,24,25)/b17-9+