1-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylate

Systemtic Name: 1-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylate Openeye Name: 1-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylate CAS Name: 1-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylate IUPAC Name: 1-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylate Traditional Name: 1-[3-keto-3-[2-(4-methoxyphenyl)ethylamino]propyl]pyrazole-3-carboxylate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CCN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CCN2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-23-13-4-2-12(3-5-13)6-9-17-15(20)8-11-19-10-7-14(18-19)16(21)22/h2-5,7,10H,6,8-9,11H2,1H3,(H,17,20)(H,21,22)/p-1