3-[[(6-methylpyridin-2-yl)amino]methyl]-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(6-methylpyridin-2-yl)amino]methyl]-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Openeye Name: 3-[[(6-methyl-2-pyridyl)amino]methyl]-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one CAS Name: 3-[[(6-methyl-2-pyridinyl)amino]methyl]-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one IUPAC Name: 3-[[(6-methylpyridin-2-yl)amino]methyl]-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Traditional Name: 3-[[(6-methyl-2-pyridyl)amino]methyl]-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NCN2C3CCC(CC3OC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC=C1)NCN2C3CCC(CC3OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4/c1-9-3-2-4-13(16-9)15-8-17-11-6-5-10(18(20)21)7-12(11)22-14(17)19/h2-4,10-12H,5-8H2,1H3,(H,15,16)