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

Systemtic Name: methyl N-[(E)-[1-ethyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]carbamate Openeye Name: methyl N-[(E)-[1-ethyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamate CAS Name: N-[(E)-[1-ethyl-3-(5-nitro-2-furanyl)-4-pyrazolyl]methylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-[1-ethyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[1-ethyl-3-(5-nitro-2-furyl)pyrazol-4-yl]methyleneamino]carbamic acid methyl ester Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C=NNC(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])/C=N/NC(=O)OC

InChI

InChI=1S/C12H13N5O5/c1-3-16-7-8(6-13-14-12(18)21-2)11(15-16)9-4-5-10(22-9)17(19)20/h4-7H,3H2,1-2H3,(H,14,18)/b13-6+