2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-keto-3-(methoxymethyl)-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O6/c1-31-12-19-18(20(26)24(23-19)16-8-4-15(22)5-9-16)11-14(21(27)28)10-13-2-6-17(7-3-13)25(29)30/h2-10,18H,11-12H2,1H3,(H,27,28)