6-nitro-3-[(pyridin-2-ylamino)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[(pyridin-2-ylamino)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[(2-pyridylamino)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[(2-pyridinylamino)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[(pyridin-2-ylamino)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Traditional Name: 6-nitro-3-[(2-pyridylamino)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1[N+](=O)[O-])OC(=O)N2CNC3=CC=CC=N3

Isomeric SMILES

C1CC2C(CC1[N+](=O)[O-])OC(=O)N2CNC3=CC=CC=N3

InChI

InChI=1S/C13H16N4O4/c18-13-16(8-15-12-3-1-2-6-14-12)10-5-4-9(17(19)20)7-11(10)21-13/h1-3,6,9-11H,4-5,7-8H2,(H,14,15)