4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-chromen-2-one

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-chromen-2-one Openeye Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-chromen-2-one CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrochromen-2-one Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-coumarin Formula: C15H18N3O5+ MolecularWeight: 320.32052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c19-15-14(18(20)21)13(11-3-1-2-4-12(11)23-15)16-5-6-17-7-9-22-10-8-17/h1-4,16H,5-10H2/p+1