4-[[4-[(2,6-diethylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[4-[(2,6-diethylphenyl)carbamoyl]phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]anilino]-4-oxo-but-2-enoic acid CAS Name: 4-[4-[(2,6-diethylanilino)-oxomethyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]anilino]-4-oxobut-2-enoic acid Traditional Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]anilino]-4-keto-but-2-enoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

InChI

InChI=1S/C21H22N2O4/c1-3-14-6-5-7-15(4-2)20(14)23-21(27)16-8-10-17(11-9-16)22-18(24)12-13-19(25)26/h5-13H,3-4H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)