7-nitro-6-(pentan-2-ylamino)-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-nitro-6-(pentan-2-ylamino)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(1-methylbutylamino)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 7-nitro-6-(pentan-2-ylamino)-4H-1,4-benzoxazin-3-one IUPAC Name: 7-nitro-6-(pentan-2-ylamino)-4H-1,4-benzoxazin-3-one Traditional Name: 6-(1-methylbutylamino)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-3-4-8(2)14-9-5-10-12(6-11(9)16(18)19)20-7-13(17)15-10/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,17)