(E)-4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-[(4-tert-butylbenzoyl)amino]anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[(4-tert-butylbenzoyl)amino]anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-[(4-tert-butylbenzoyl)amino]anilino]-4-keto-but-2-enoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)15-9-7-14(8-10-15)20(27)23-17-6-4-5-16(13-17)22-18(24)11-12-19(25)26/h4-13H,1-3H3,(H,22,24)(H,23,27)(H,25,26)/b12-11+