(E)-4-[[3,5-bis(propan-2-yloxycarbonyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3,5-bis(propan-2-yloxycarbonyl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3,5-bis(isopropoxycarbonyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3,5-bis[oxo(propan-2-yloxy)methyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3,5-bis(propan-2-yloxycarbonyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3,5-bis(isopropoxycarbonyl)anilino]-4-keto-but-2-enoic acid Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C=CC(=O)O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C(=O)O)C(=O)OC(C)C

InChI

InChI=1S/C18H21NO7/c1-10(2)25-17(23)12-7-13(18(24)26-11(3)4)9-14(8-12)19-15(20)5-6-16(21)22/h5-11H,1-4H3,(H,19,20)(H,21,22)/b6-5+