2-[[(2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyl]amino]ethylazanium

Systemtic Name: 2-[[(2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyl]amino]ethylazanium Openeye Name: 2-[[(2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]ethylammonium CAS Name: 2-[[(2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[[(2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]ethylazanium Traditional Name: 2-[[(2S)-2-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)propanoyl]amino]ethylammonium Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC[NH3+])N1C(=O)COC2=C1C=C(C=C2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC[NH3+])N1C(=O)COC2=C1C=C(C=C2)C(=O)C

InChI

InChI=1S/C15H19N3O4/c1-9(15(21)17-6-5-16)18-12-7-11(10(2)19)3-4-13(12)22-8-14(18)20/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,21)/p+1/t9-/m0/s1