7-[(R)-(cyclohexylcarbonylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(R)-(cyclohexylcarbonylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(R)-(cyclohexanecarbonylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(R)-[[cyclohexyl(oxo)methyl]amino]-(3,4-dimethoxyphenyl)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(R)-(cyclohexanecarbonylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(R)-(cyclohexanecarbonylamino)-(3,4-dimethoxyphenyl)methyl]-5-nitro-quinolin-8-olate Formula: C25H26N3O6- MolecularWeight: 464.49044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])NC(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-])NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C25H27N3O6/c1-33-20-11-10-16(13-21(20)34-2)22(27-25(30)15-7-4-3-5-8-15)18-14-19(28(31)32)17-9-6-12-26-23(17)24(18)29/h6,9-15,22,29H,3-5,7-8H2,1-2H3,(H,27,30)/p-1/t22-/m1/s1