3-[(4Z)-4-[(3-ethoxy-2-nitro-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-2-nitro-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(3-ethoxy-4-hydroxy-2-nitro-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(3-ethoxy-4-hydroxy-2-nitrophenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-4-hydroxy-2-nitrophenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(3-ethoxy-4-hydroxy-2-nitro-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1[N+](=O)[O-])C=C2C(=C)NN(C2=O)C3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=C)NN(C2=O)C3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C20H17N3O7/c1-3-30-18-16(24)8-7-12(17(18)23(28)29)10-15-11(2)21-22(19(15)25)14-6-4-5-13(9-14)20(26)27/h4-10,21,24H,2-3H2,1H3,(H,26,27)/b15-10-