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

Systemtic Name: 3-nitro-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]chromen-2-one Openeye Name: 3-nitro-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]chromen-2-one CAS Name: 3-nitro-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]-1-benzopyran-2-one IUPAC Name: 3-nitro-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]chromen-2-one Traditional Name: 3-nitro-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]coumarin Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@H](CC(C1)(C)C)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-11-8-12(10-18(2,3)9-11)19-15-13-6-4-5-7-14(13)24-17(21)16(15)20(22)23/h4-7,11-12,19H,8-10H2,1-3H3/t11-,12+/m0/s1