ethyl 4-[[2-(2-morpholin-4-ium-4-ylethanoylamino)-5-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(2-morpholin-4-ium-4-ylethanoylamino)-5-nitro-phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-5-nitrophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5-nitro-benzoyl]amino]benzoic acid ethyl ester Formula: C22H25N4O7+ MolecularWeight: 457.4565

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C22H24N4O7/c1-2-33-22(29)15-3-5-16(6-4-15)23-21(28)18-13-17(26(30)31)7-8-19(18)24-20(27)14-25-9-11-32-12-10-25/h3-8,13H,2,9-12,14H2,1H3,(H,23,28)(H,24,27)/p+1