4-[[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-morpholino-3-nitro-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-morpholin-4-yl-3-nitrobenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-morpholino-3-nitro-benzoyl)amino]methyl]benzoic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c23-18(20-12-13-1-3-14(4-2-13)19(24)25)15-5-6-16(17(11-15)22(26)27)21-7-9-28-10-8-21/h1-6,11H,7-10,12H2,(H,20,23)(H,24,25)