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

Systemtic Name: 3-[3-(3-nitrophenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3-nitrophenyl)-4-[(E)-3-oxido-3-oxo-prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(3-nitrophenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(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-(3-nitrophenyl)pyrazol-1-yl]propionate Formula: C15H11N3O6-2 MolecularWeight: 329.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c19-13(20)5-4-11-9-17(7-6-14(21)22)16-15(11)10-2-1-3-12(8-10)18(23)24/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22)/p-2/b5-4+