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

Systemtic Name: ethyl N-[(E)-[3-(5-nitrofuran-2-yl)-1-prop-2-enyl-pyrazol-4-yl]methylideneamino]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5/c1-3-7-18-9-10(8-15-16-14(20)23-4-2)13(17-18)11-5-6-12(24-11)19(21)22/h3,5-6,8-9H,1,4,7H2,2H3,(H,16,20)/b15-8+