(2S)-4-(4-azanylbutyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-4-(4-azanylbutyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one Openeye Name: (2S)-4-(4-aminobutyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-(4-aminobutyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-4-(4-aminobutyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-(4-aminobutyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)N(C3=C(O2)C=CC(=C3)[N+](=O)[O-])CCCCN

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=O)N(C3=C(O2)C=CC(=C3)[N+](=O)[O-])CCCCN

InChI

InChI=1S/C18H19N3O4/c19-10-4-5-11-20-15-12-14(21(23)24)8-9-16(15)25-17(18(20)22)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11,19H2/t17-/m0/s1