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

Systemtic Name: methyl N-[(E)-[3-(5-nitrofuran-2-yl)-1-prop-2-enyl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: methyl N-[(E)-[1-allyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(E)-[3-(5-nitro-2-furanyl)-1-prop-2-enyl-4-pyrazolyl]methylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-[3-(5-nitrofuran-2-yl)-1-prop-2-enylpyrazol-4-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[1-allyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamic acid methyl ester Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NN=CC1=CN(N=C1C2=CC=C(O2)[N+](=O)[O-])CC=C

Isomeric SMILES

COC(=O)N/N=C/C1=CN(N=C1C2=CC=C(O2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C13H13N5O5/c1-3-6-17-8-9(7-14-15-13(19)22-2)12(16-17)10-4-5-11(23-10)18(20)21/h3-5,7-8H,1,6H2,2H3,(H,15,19)/b14-7+