1,3-bis(4-ethylphenyl)-5-methyl-5-nitro-1,3-diazinane

Systemtic Name: 1,3-bis(4-ethylphenyl)-5-methyl-5-nitro-1,3-diazinane Openeye Name: 1,3-bis(4-ethylphenyl)-5-methyl-5-nitro-hexahydropyrimidine CAS Name: 1,3-bis(4-ethylphenyl)-5-methyl-5-nitro-1,3-diazinane IUPAC Name: 1,3-bis(4-ethylphenyl)-5-methyl-5-nitro-1,3-diazinane Traditional Name: 1,3-bis(4-ethylphenyl)-5-methyl-5-nitro-hexahydropyrimidine Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CN(C2)C3=CC=C(C=C3)CC)(C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CN(C2)C3=CC=C(C=C3)CC)(C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O2/c1-4-17-6-10-19(11-7-17)22-14-21(3,24(25)26)15-23(16-22)20-12-8-18(5-2)9-13-20/h6-13H,4-5,14-16H2,1-3H3