(E)-3-[3-nitro-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-nitro-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-3-nitro-phenyl]acrylic acid Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO6/c14-11(15)5-2-8-1-3-9(4-6-12(16)17)10(7-8)13(18)19/h1-7H,(H,14,15)(H,16,17)/b5-2+,6-4+