4-[[2-[(4-nitro-2-oxidanyl-phenyl)carbonylamino]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2-[(4-nitro-2-oxidanyl-phenyl)carbonylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[2-[(2-hydroxy-4-nitro-benzoyl)amino]benzoyl]amino]butanoic acid CAS Name: 4-[[[2-[[(2-hydroxy-4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(2-hydroxy-4-nitrobenzoyl)amino]benzoyl]amino]butanoic acid Traditional Name: 4-[[2-[(2-hydroxy-4-nitro-benzoyl)amino]benzoyl]amino]butyric acid Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H17N3O7/c22-15-10-11(21(27)28)7-8-13(15)18(26)20-14-5-2-1-4-12(14)17(25)19-9-3-6-16(23)24/h1-2,4-5,7-8,10,22H,3,6,9H2,(H,19,25)(H,20,26)(H,23,24)