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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C14H14N3O5- MolecularWeight: 304.27806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-8(2)16-14(19)10(7-15)4-9-5-11(17(20)21)13(18)12(6-9)22-3/h4-6,8,18H,1-3H3,(H,16,19)/p-1/b10-4+