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

Systemtic Name: 4-[(E)-2-cyano-3-[(2-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(o-anisidino)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H14N3O6- MolecularWeight: 368.32026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H15N3O6/c1-26-15-6-4-3-5-13(15)20-18(23)12(10-19)7-11-8-14(21(24)25)17(22)16(9-11)27-2/h3-9,22H,1-2H3,(H,20,23)/p-1/b12-7+