4-[(2S)-6-nitro-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]butylazanium

Systemtic Name: 4-[(2S)-6-nitro-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]butylazanium Openeye Name: 4-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]butylammonium CAS Name: 4-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]butylammonium IUPAC Name: 4-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]butylazanium Traditional Name: 4-[(2S)-3-keto-6-nitro-2-phenyl-1,4-benzoxazin-4-yl]butylammonium Formula: C18H20N3O4+ MolecularWeight: 342.3691

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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-])CCCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=O)N(C3=C(O2)C=CC(=C3)[N+](=O)[O-])CCCC[NH3+]

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/p+1/t17-/m0/s1