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

Systemtic Name: 2-[[4-[[4-[(4-methoxyphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[4-(4-methoxyanilino)-3,5-dinitro-benzoyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[[4-(4-methoxyanilino)-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[3,5-dinitro-4-(p-anisidino)benzoyl]amino]benzoyl]amino]acetic acid Formula: C23H19N5O9 MolecularWeight: 509.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C23H19N5O9/c1-37-17-8-6-15(7-9-17)25-21-18(27(33)34)10-14(11-19(21)28(35)36)23(32)26-16-4-2-13(3-5-16)22(31)24-12-20(29)30/h2-11,25H,12H2,1H3,(H,24,31)(H,26,32)(H,29,30)