tert-butyl N-[[(E)-[3-(5-nitrofuran-2-yl)pyrazol-4-ylidene]methyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(E)-[3-(5-nitrofuran-2-yl)pyrazol-4-ylidene]methyl]amino]carbamate Openeye Name: tert-butyl N-[[(E)-[3-(5-nitro-2-furyl)pyrazol-4-ylidene]methyl]amino]carbamate CAS Name: N-[[(E)-[3-(5-nitro-2-furanyl)-4-pyrazolylidene]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(E)-[3-(5-nitrofuran-2-yl)pyrazol-4-ylidene]methyl]amino]carbamate Traditional Name: N-[[(E)-[3-(5-nitro-2-furyl)pyrazol-4-ylidene]methyl]amino]carbamic acid tert-butyl ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC=C1C=NN=C1C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NN/C=C/1\C=NN=C1C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5/c1-13(2,3)23-12(19)17-15-7-8-6-14-16-11(8)9-4-5-10(22-9)18(20)21/h4-7,15H,1-3H3,(H,17,19)/b8-7+