4-azanyl-2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-4-keto-butyric acid Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC(CC(=O)N)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC(CC(=O)N)C(=O)O)Cl)C

InChI

InChI=1S/C12H15ClN4O4/c1-6-7(11(13)17(2)16-6)3-4-10(19)15-8(12(20)21)5-9(14)18/h3-4,8H,5H2,1-2H3,(H2,14,18)(H,15,19)(H,20,21)/b4-3+