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

Systemtic Name: 2-[[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(4-methylanilino)-3,5-dinitro-benzoyl]amino]acetic acid CAS Name: 2-[[[4-(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(4-methylanilino)-3,5-dinitrobenzoyl]amino]acetic acid Traditional Name: 2-[[3,5-dinitro-4-(p-toluidino)benzoyl]amino]acetic acid Formula: C16H14N4O7 MolecularWeight: 374.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O7/c1-9-2-4-11(5-3-9)18-15-12(19(24)25)6-10(7-13(15)20(26)27)16(23)17-8-14(21)22/h2-7,18H,8H2,1H3,(H,17,23)(H,21,22)