3-nitro-4-[[(1S,2R,3S)-2,3,5,5-tetramethylcyclohexyl]amino]chromen-2-one

Systemtic Name: 3-nitro-4-[[(1S,2R,3S)-2,3,5,5-tetramethylcyclohexyl]amino]chromen-2-one Openeye Name: 3-nitro-4-[[(1S,2R,3S)-2,3,5,5-tetramethylcyclohexyl]amino]chromen-2-one CAS Name: 3-nitro-4-[[(1S,2R,3S)-2,3,5,5-tetramethylcyclohexyl]amino]-1-benzopyran-2-one IUPAC Name: 3-nitro-4-[[(1S,2R,3S)-2,3,5,5-tetramethylcyclohexyl]amino]chromen-2-one Traditional Name: 3-nitro-4-[[(1S,2R,3S)-2,3,5,5-tetramethylcyclohexyl]amino]coumarin Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1C)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])(C)C

Isomeric SMILES

C[C@H]1CC(C[C@@H]([C@@H]1C)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])(C)C

InChI

InChI=1S/C19H24N2O4/c1-11-9-19(3,4)10-14(12(11)2)20-16-13-7-5-6-8-15(13)25-18(22)17(16)21(23)24/h5-8,11-12,14,20H,9-10H2,1-4H3/t11-,12+,14-/m0/s1