ethyl 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butanoate Openeye Name: ethyl 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butanoate CAS Name: 4-[3-(1-methyl-4-pyrazolyl)-4-nitro-1-pyrazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-methylpyrazol-4-yl)-4-nitropyrazol-1-yl]butanoate Traditional Name: 4-[3-(1-methylpyrazol-4-yl)-4-nitro-pyrazol-1-yl]butyric acid ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=N1)C2=CN(N=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=N1)C2=CN(N=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O4/c1-3-22-12(19)5-4-6-17-9-11(18(20)21)13(15-17)10-7-14-16(2)8-10/h7-9H,3-6H2,1-2H3