4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H13N2O6- MolecularWeight: 353.30562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)OCC#N

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C18H14N2O6/c1-25-17-11-12(10-15(18(17)22)20(23)24)2-7-16(21)13-3-5-14(6-4-13)26-9-8-19/h2-7,10-11,22H,9H2,1H3/p-1/b7-2+