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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(1R)-1-phenylethyl]amino]prop-1-enyl]-2-nitro-phenolate Formula: C18H14N3O4- MolecularWeight: 336.32146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-17(22)16(10-13)21(24)25/h2-10,12,22H,1H3,(H,20,23)/p-1/b15-9+/t12-/m1/s1