N-(2,2-dimethyloxan-4-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(2,2-dimethyloxan-4-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(2,2-dimethyltetrahydropyran-4-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-5-amine CAS Name: N-(2,2-dimethyl-4-oxanyl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(2,2-dimethyloxan-4-yl)-4-nitro-N-(1-phenylethyl)-2,1,3-benzoxadiazol-5-amine Traditional Name: (2,2-dimethyltetrahydropyran-4-yl)-(4-nitrobenzofurazan-5-yl)-(1-phenylethyl)amine Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-14(15-7-5-4-6-8-15)24(16-11-12-28-21(2,3)13-16)18-10-9-17-19(23-29-22-17)20(18)25(26)27/h4-10,14,16H,11-13H2,1-3H3