N-(furan-2-ylmethyl)-2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrazole-3-carboxamide Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CN1C(=C(C=N1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C18H15N5O6/c1-22-17(18(24)20-8-12-3-2-4-27-12)13(9-21-22)19-7-11-5-15-16(29-10-28-15)6-14(11)23(25)26/h2-7,9H,8,10H2,1H3,(H,20,24)