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

Systemtic Name: 4-[(E)-3-[4-methoxy-3-(methoxymethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-[4-methoxy-3-(methoxymethyl)phenyl]-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-[4-methoxy-3-(methoxymethyl)phenyl]-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-[4-methoxy-3-(methoxymethyl)phenyl]-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-keto-3-[4-methoxy-3-(methoxymethyl)phenyl]prop-1-enyl]-2-nitro-phenolate Formula: C18H16NO6- MolecularWeight: 342.32274

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COCC1=C(C=CC(=C1)C(=O)/C=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H17NO6/c1-24-11-14-10-13(5-8-18(14)25-2)16(20)6-3-12-4-7-17(21)15(9-12)19(22)23/h3-10,21H,11H2,1-2H3/p-1/b6-3+