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

Systemtic Name: 4-bromanyl-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H19BrN4O5 MolecularWeight: 427.24986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C16H19BrN4O5/c1-3-25-11-6-5-10(9-12(11)26-4-2)7-8-18-16(22)14-13(17)15(20-19-14)21(23)24/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,20)