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

Systemtic Name: 2-[[4-[(2-chlorophenyl)amino]-3,5-dinitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]acetic acid CAS Name: 2-[[[4-(2-chloroanilino)-3,5-dinitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(2-chloroanilino)-3,5-dinitrobenzoyl]amino]acetic acid Traditional Name: 2-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]acetic acid Formula: C15H11ClN4O7 MolecularWeight: 394.72344

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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)NCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN4O7/c16-9-3-1-2-4-10(9)18-14-11(19(24)25)5-8(6-12(14)20(26)27)15(23)17-7-13(21)22/h1-6,18H,7H2,(H,17,23)(H,21,22)