sodium (E)-[3-ethoxy-1-[4-(ethoxycarbonylamino)phenyl]-5-oxidanylidene-pyrazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[3-ethoxy-1-[4-(ethoxycarbonylamino)phenyl]-5-oxidanylidene-pyrazol-4-ylidene]methanolate Openeye Name: sodium (E)-[3-ethoxy-1-[4-(ethoxycarbonylamino)phenyl]-5-oxo-pyrazol-4-ylidene]methanolate CAS Name: sodium (E)-[3-ethoxy-1-[4-(ethoxycarbonylamino)phenyl]-5-oxo-4-pyrazolylidene]methanolate IUPAC Name: sodium (E)-[3-ethoxy-1-[4-(ethoxycarbonylamino)phenyl]-5-oxopyrazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-[4-(carbethoxyamino)phenyl]-3-ethoxy-5-keto-2-pyrazolin-4-ylidene]methanolate Formula: C15H16N3NaO5 MolecularWeight: 341.29441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=C[O-])C2=CC=C(C=C2)NC(=O)OCC.[Na+]

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C/[O-])C2=CC=C(C=C2)NC(=O)OCC.[Na+]

InChI

InChI=1S/C15H17N3O5.Na/c1-3-22-13-12(9-19)14(20)18(17-13)11-7-5-10(6-8-11)16-15(21)23-4-2;/h5-9,19H,3-4H2,1-2H3,(H,16,21);/q;+1/p-1/b12-9+;