4-chloranyl-2-[(E)-2-cyano-3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(E)-2-cyano-3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(E)-2-cyano-3-keto-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]-6-nitro-phenolate Formula: C18H13ClN3O4- MolecularWeight: 370.76652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O4/c1-11(12-5-3-2-4-6-12)21-18(24)14(10-20)7-13-8-15(19)9-16(17(13)23)22(25)26/h2-9,11,23H,1H3,(H,21,24)/p-1/b14-7+/t11-/m0/s1