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

Systemtic Name: 4-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(1S,2S)-2-methylcyclohexyl]amino]prop-1-enyl]-2-nitro-phenolate Formula: C17H18N3O4- MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-11-4-2-3-5-14(11)19-17(22)13(10-18)8-12-6-7-16(21)15(9-12)20(23)24/h6-9,11,14,21H,2-5H2,1H3,(H,19,22)/p-1/b13-8+/t11-,14-/m0/s1