methyl 4-[(E)-morpholin-4-yliminomethyl]-3-(5-nitrofuran-2-yl)pyrazole-1-carboxylate

Systemtic Name: methyl 4-[(E)-morpholin-4-yliminomethyl]-3-(5-nitrofuran-2-yl)pyrazole-1-carboxylate Openeye Name: methyl 4-[(E)-morpholinoiminomethyl]-3-(5-nitro-2-furyl)pyrazole-1-carboxylate CAS Name: 4-[(E)-4-morpholinyliminomethyl]-3-(5-nitro-2-furanyl)-1-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-morpholin-4-yliminomethyl]-3-(5-nitrofuran-2-yl)pyrazole-1-carboxylate Traditional Name: 4-[(E)-morpholinoiminomethyl]-3-(5-nitro-2-furyl)pyrazole-1-carboxylic acid methyl ester Formula: C14H15N5O6 MolecularWeight: 349.2988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C=NN3CCOCC3

Isomeric SMILES

COC(=O)N1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])/C=N/N3CCOCC3

InChI

InChI=1S/C14H15N5O6/c1-23-14(20)18-9-10(8-15-17-4-6-24-7-5-17)13(16-18)11-2-3-12(25-11)19(21)22/h2-3,8-9H,4-7H2,1H3/b15-8+