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

Systemtic Name: 3-[(2S)-6-nitro-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]propylazanium Openeye Name: 3-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propylammonium CAS Name: 3-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propylammonium IUPAC Name: 3-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]propylazanium Traditional Name: 3-[(2S)-3-keto-6-nitro-2-phenyl-1,4-benzoxazin-4-yl]propylammonium Formula: C17H18N3O4+ MolecularWeight: 328.34252

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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-])CCC[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c18-9-4-10-19-14-11-13(20(22)23)7-8-15(14)24-16(17(19)21)12-5-2-1-3-6-12/h1-3,5-8,11,16H,4,9-10,18H2/p+1/t16-/m0/s1