4-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C16H10N3O4- MolecularWeight: 308.2683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O4/c17-10-12(16(21)18-13-4-2-1-3-5-13)8-11-6-7-15(20)14(9-11)19(22)23/h1-9,20H,(H,18,21)/p-1/b12-8+