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

Systemtic Name: methyl N-[(E)-[3-(5-nitrofuran-2-yl)-1-propan-2-yl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: methyl N-[(E)-[1-isopropyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(E)-[3-(5-nitro-2-furanyl)-1-propan-2-yl-4-pyrazolyl]methylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-[3-(5-nitrofuran-2-yl)-1-propan-2-ylpyrazol-4-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[1-isopropyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamic acid methyl ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O5/c1-8(2)17-7-9(6-14-15-13(19)22-3)12(16-17)10-4-5-11(23-10)18(20)21/h4-8H,1-3H3,(H,15,19)/b14-6+