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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-8(2)15-13(18)10(7-14)5-9-3-4-12(17)11(6-9)16(19)20/h3-6,8,17H,1-2H3,(H,15,18)/p-1/b10-5+