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

Systemtic Name: 4-bromanyl-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C21H21BrN4O6 MolecularWeight: 505.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C21H21BrN4O6/c1-3-30-16-10-5-13(11-17(16)31-4-2)12-32-15-8-6-14(7-9-15)23-21(27)19-18(22)20(25-24-19)26(28)29/h5-11H,3-4,12H2,1-2H3,(H,23,27)(H,24,25)