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

Systemtic Name: (2R)-4-(3-azanylpropyl)-6-nitro-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-4-(3-aminopropyl)-2-isopropyl-6-nitro-1,4-benzoxazin-3-one CAS Name: (2R)-4-(3-aminopropyl)-6-nitro-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-4-(3-aminopropyl)-6-nitro-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-4-(3-aminopropyl)-2-isopropyl-6-nitro-1,4-benzoxazin-3-one Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCN

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-9(2)13-14(18)16(7-3-6-15)11-8-10(17(19)20)4-5-12(11)21-13/h4-5,8-9,13H,3,6-7,15H2,1-2H3/t13-/m1/s1