1-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylate

Systemtic Name: 1-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylate Openeye Name: 1-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-pyrazolecarboxylate IUPAC Name: 1-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]pyrazole-4-carboxylate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)NC(=O)CN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-10(11-3-5-13(22-2)6-4-11)17-14(19)9-18-8-12(7-16-18)15(20)21/h3-8,10H,9H2,1-2H3,(H,17,19)(H,20,21)/p-1/t10-/m0/s1