3-[3-(4-methoxy-3-nitro-phenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-methoxy-3-nitro-phenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-hydroxy-3-oxo-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-(4-methoxy-3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-(4-methoxy-3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-hydroxy-3-keto-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionic acid Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7/c1-26-13-4-2-10(8-12(13)19(24)25)16-11(3-5-14(20)21)9-18(17-16)7-6-15(22)23/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H,22,23)