4-[[(3-methyl-2-oxidanyl-2-propan-2-yl-butanoyl)amino]-phenyl-amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[[(3-methyl-2-oxidanyl-2-propan-2-yl-butanoyl)amino]-phenyl-amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-(N-[(2-hydroxy-2-isopropyl-3-methyl-butanoyl)amino]anilino)-4-oxo-but-2-enoate CAS Name: 4-(N-[(2-hydroxy-3-methyl-1-oxo-2-propan-2-ylbutyl)amino]anilino)-4-oxo-2-butenoate IUPAC Name: 4-(N-[(2-hydroxy-3-methyl-2-propan-2-ylbutanoyl)amino]anilino)-4-oxobut-2-enoate Traditional Name: 4-(N-[(2-hydroxy-2-isopropyl-3-methyl-butanoyl)amino]anilino)-4-keto-but-2-enoate Formula: C18H23N2O5- MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(C(=O)NN(C1=CC=CC=C1)C(=O)C=CC(=O)[O-])O

Isomeric SMILES

CC(C)C(C(C)C)(C(=O)NN(C1=CC=CC=C1)C(=O)C=CC(=O)[O-])O

InChI

InChI=1S/C18H24N2O5/c1-12(2)18(25,13(3)4)17(24)19-20(14-8-6-5-7-9-14)15(21)10-11-16(22)23/h5-13,25H,1-4H3,(H,19,24)(H,22,23)/p-1