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

Systemtic Name: 4-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-homoveratryl-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H15BrN4O5 MolecularWeight: 399.1967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O5/c1-23-9-4-3-8(7-10(9)24-2)5-6-16-14(20)12-11(15)13(18-17-12)19(21)22/h3-4,7H,5-6H2,1-2H3,(H,16,20)(H,17,18)