3-methoxy-4-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-(4-pyridin-1-iumylmethyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-5-carboxamide Formula: C11H12N5O4+ MolecularWeight: 278.24408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=[NH+]C=C2

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CC=[NH+]C=C2

InChI

InChI=1S/C11H11N5O4/c1-20-11-9(16(18)19)8(14-15-11)10(17)13-6-7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,13,17)(H,14,15)/p+1