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

Systemtic Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(3,4-diethoxybenzyl)oxyphenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C22H24N4O7 MolecularWeight: 456.44856

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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)OC)[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O7/c1-4-31-17-11-6-14(12-18(17)32-5-2)13-33-16-9-7-15(8-10-16)23-21(27)19-20(26(28)29)22(30-3)25-24-19/h6-12H,4-5,13H2,1-3H3,(H,23,27)(H,24,25)