2-[[4-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-anilino-3,5-dinitro-benzoyl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(4-anilino-3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(4-anilino-3,5-dinitrobenzoyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(4-anilino-3,5-dinitro-benzoyl)amino]benzoyl]amino]acetic acid Formula: C22H17N5O8 MolecularWeight: 479.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O8/c28-19(29)12-23-21(30)13-6-8-16(9-7-13)25-22(31)14-10-17(26(32)33)20(18(11-14)27(34)35)24-15-4-2-1-3-5-15/h1-11,24H,12H2,(H,23,30)(H,25,31)(H,28,29)