3-[3-(4-methoxy-3-nitro-phenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(4-methoxy-3-nitro-phenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(4-methoxy-3-nitro-phenyl)-4-[(E)-3-oxido-3-oxo-prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(4-methoxy-3-nitrophenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-methoxy-3-nitrophenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(E)-3-keto-3-oxido-prop-1-enyl]-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionate Formula: C16H13N3O7-2 MolecularWeight: 359.29032

Click to see the large picture

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=C2/C=C/C(=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)/p-2/b5-3+