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

Systemtic Name: 7-nitro-6-(1-oxidanylbutan-2-ylamino)-4H-1,4-benzoxazin-3-one Openeye Name: 6-[1-(hydroxymethyl)propylamino]-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 6-(1-hydroxybutan-2-ylamino)-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(1-hydroxybutan-2-ylamino)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-(1-methylolpropylamino)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-2-7(5-16)13-8-3-9-11(4-10(8)15(18)19)20-6-12(17)14-9/h3-4,7,13,16H,2,5-6H2,1H3,(H,14,17)