3-methoxy-4-nitro-N-(phenylmethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-(phenylmethyl)-1H-pyrazole-5-carboxamide Openeye Name: N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-(phenylmethyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4/c1-20-12-10(16(18)19)9(14-15-12)11(17)13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,17)(H,14,15)