N-[(1R)-1-(1-adamantyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCCO5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4[N+](=O)[O-])OCCO5

InChI

InChI=1S/C21H26N2O5/c1-12(21-9-13-4-14(10-21)6-15(5-13)11-21)22-20(24)16-7-18-19(28-3-2-27-18)8-17(16)23(25)26/h7-8,12-15H,2-6,9-11H2,1H3,(H,22,24)/t12-,13?,14?,15?,21?/m1/s1