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

Systemtic Name: 4-chloranyl-2-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-prop-1-enyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxo-prop-1-enyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(E)-2-cyano-3-keto-3-[[(1S,2S)-2-methylcyclohexyl]amino]prop-1-enyl]-6-nitro-phenolate Formula: C17H17ClN3O4- MolecularWeight: 362.78758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)/C#N

InChI

InChI=1S/C17H18ClN3O4/c1-10-4-2-3-5-14(10)20-17(23)12(9-19)6-11-7-13(18)8-15(16(11)22)21(24)25/h6-8,10,14,22H,2-5H2,1H3,(H,20,23)/p-1/b12-6+/t10-,14-/m0/s1