(4Z)-5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylene]pyrazol-3-one CAS Name: (4Z)-5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-ethoxy-2-(4-nitrophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-ethoxy-2-(4-nitrophenyl)-4-(2,4,5-trimethoxybenzylidene)-2-pyrazolin-3-one Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1=CC2=CC(=C(C=C2OC)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2OC)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-5-31-20-16(10-13-11-18(29-3)19(30-4)12-17(13)28-2)21(25)23(22-20)14-6-8-15(9-7-14)24(26)27/h6-12H,5H2,1-4H3/b16-10-