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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-2-3-4-5-14-9-6-10-12(7-11(9)16(18)19)20-8-13(17)15-10/h6-7,14H,2-5,8H2,1H3,(H,15,17)