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

Systemtic Name: 6-(3-ethoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: 6-(3-ethoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 6-(3-ethoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(3-ethoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-(3-ethoxypropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-2-20-5-3-4-14-9-6-10-12(7-11(9)16(18)19)21-8-13(17)15-10/h6-7,14H,2-5,8H2,1H3,(H,15,17)