(2S)-2-(2-morpholin-4-ium-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-(4-morpholin-4-iumyl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-(2-morpholin-4-ium-4-ylethyl)-7-nitro-4H-1,4-benzoxazin-3-one Formula: C14H18N3O5+ MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC[C@H]2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c18-14-12(3-4-16-5-7-21-8-6-16)22-13-9-10(17(19)20)1-2-11(13)15-14/h1-2,9,12H,3-8H2,(H,15,18)/p+1/t12-/m0/s1