(2R)-4-(3-azanylpropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one

Systemtic Name: (2R)-4-(3-azanylpropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one Openeye Name: (2R)-4-(3-aminopropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one CAS Name: (2R)-4-(3-aminopropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one IUPAC Name: (2R)-4-(3-aminopropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one Traditional Name: (2R)-4-(3-aminopropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCN

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCN

InChI

InChI=1S/C12H15N3O4/c1-8-12(16)14(6-2-5-13)10-7-9(15(17)18)3-4-11(10)19-8/h3-4,7-8H,2,5-6,13H2,1H3/t8-/m1/s1