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

Systemtic Name: 4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(1-naphthylamino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(1-naphthalenylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(1-naphthylamino)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C21H14N3O5- MolecularWeight: 388.35296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H15N3O5/c1-29-19-11-13(10-18(20(19)25)24(27)28)9-15(12-22)21(26)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-11,25H,1H3,(H,23,26)/p-1/b15-9+