N-(furan-2-ylmethyl)-1-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-1-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-1-methyl-4-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-1-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide Formula: C16H17N7O5 MolecularWeight: 387.35008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)CCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O5/c1-21-10-13(15(20-21)16(25)17-8-12-3-2-6-28-12)19-14(24)4-5-22-9-11(7-18-22)23(26)27/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,17,25)(H,19,24)