5-[(4-cyanophenyl)carbonylamino]-3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-2,4-dimethyl-benzoic acid

Systemtic Name: 5-[(4-cyanophenyl)carbonylamino]-3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-2,4-dimethyl-benzoic acid Openeye Name: 5-[(4-cyanobenzoyl)amino]-3-[(3-methoxy-3-oxo-propanoyl)amino]-2,4-dimethyl-benzoic acid CAS Name: 5-[[(4-cyanophenyl)-oxomethyl]amino]-3-[(3-methoxy-1,3-dioxopropyl)amino]-2,4-dimethylbenzoic acid IUPAC Name: 5-[(4-cyanobenzoyl)amino]-3-[(3-methoxy-3-oxopropanoyl)amino]-2,4-dimethylbenzoic acid Traditional Name: 5-[(4-cyanobenzoyl)amino]-3-[(3-keto-3-methoxy-propanoyl)amino]-2,4-dimethyl-benzoic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)NC(=O)C2=CC=C(C=C2)C#N)C)NC(=O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)NC(=O)C2=CC=C(C=C2)C#N)C)NC(=O)CC(=O)OC

InChI

InChI=1S/C21H19N3O6/c1-11-15(21(28)29)8-16(12(2)19(11)24-17(25)9-18(26)30-3)23-20(27)14-6-4-13(10-22)5-7-14/h4-8H,9H2,1-3H3,(H,23,27)(H,24,25)(H,28,29)