4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C14H13N2O6- MolecularWeight: 305.26282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-8(2)22-14(18)10(7-15)4-9-5-11(16(19)20)13(17)12(6-9)21-3/h4-6,8,17H,1-3H3/p-1/b10-4+