3-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N1C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1COC2=CC=CC=C2N1C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C19H17N3O6/c23-18(20-10-11-27-16-5-2-1-4-14(16)20)6-3-9-21-15-8-7-13(22(25)26)12-17(15)28-19(21)24/h1-2,4-5,7-8,12H,3,6,9-11H2