3-[(4-cyanophenyl)carbamoylamino]-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-cyanophenyl)carbamoylamino]-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-cyanophenyl)carbamoylamino]-4-[(2-methoxy-1-methyl-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[(4-cyanoanilino)-oxomethyl]amino]-4-[(1-methoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(4-cyanophenyl)carbamoylamino]-4-[(1-methoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[(4-cyanophenyl)carbamoylamino]-4-keto-4-[(2-keto-2-methoxy-1-methyl-ethyl)amino]butyric acid Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC(=O)O)NC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C(=O)OC)NC(=O)C(CC(=O)O)NC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H18N4O6/c1-9(15(24)26-2)18-14(23)12(7-13(21)22)20-16(25)19-11-5-3-10(8-17)4-6-11/h3-6,9,12H,7H2,1-2H3,(H,18,23)(H,21,22)(H2,19,20,25)