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

Systemtic Name: 2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenolate CAS Name: 2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H14NO5- MolecularWeight: 312.29676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5/c1-11-3-6-13(7-4-11)15(19)8-5-12-9-14(18(21)22)17(20)16(10-12)23-2/h3-10,20H,1-2H3/p-1/b8-5+