N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-homoveratryl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C15H18N4O6/c1-23-10-5-4-9(8-11(10)24-2)6-7-16-14(20)12-13(19(21)22)15(25-3)18-17-12/h4-5,8H,6-7H2,1-3H3,(H,16,20)(H,17,18)