[(E)-[3-(5-nitrofuran-2-yl)-1-propan-2-yl-pyrazol-4-yl]methylideneamino] ethanoate

Systemtic Name: [(E)-[3-(5-nitrofuran-2-yl)-1-propan-2-yl-pyrazol-4-yl]methylideneamino] ethanoate Openeye Name: [(E)-[1-isopropyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino] acetate CAS Name: acetic acid [(E)-[3-(5-nitro-2-furanyl)-1-propan-2-yl-4-pyrazolyl]methylideneamino] ester IUPAC Name: [(E)-[3-(5-nitrofuran-2-yl)-1-propan-2-ylpyrazol-4-yl]methylideneamino] acetate Traditional Name: acetic acid [(E)-[1-isopropyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino] ester Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5/c1-8(2)16-7-10(6-14-22-9(3)18)13(15-16)11-4-5-12(21-11)17(19)20/h4-8H,1-3H3/b14-6+