[3-[(E)-2-morpholin-4-ium-4-ylethenyl]-2-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [3-[(E)-2-morpholin-4-ium-4-ylethenyl]-2-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[(E)-2-morpholin-4-ium-4-ylvinyl]-2-nitro-phenyl]-morpholino-methanone CAS Name: [3-[(E)-2-(4-morpholin-4-iumyl)ethenyl]-2-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[(E)-2-morpholin-4-ium-4-ylethenyl]-2-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [3-[(E)-2-morpholin-4-ium-4-ylvinyl]-2-nitro-phenyl]-morpholino-methanone Formula: C17H22N3O5+ MolecularWeight: 348.37368

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C=CC2=C(C(=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1/C=C/C2=C(C(=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c21-17(19-8-12-25-13-9-19)15-3-1-2-14(16(15)20(22)23)4-5-18-6-10-24-11-7-18/h1-5H,6-13H2/p+1/b5-4+