6-(3-methylbutylamino)-7-nitro-4H-1,4-benzoxazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

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