4-[[4-[(2,4-dinitrophenyl)amino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(2,4-dinitrophenyl)amino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,4-dinitroanilino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(2,4-dinitroanilino)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,4-dinitroanilino)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(2,4-dinitroanilino)anilino]-4-keto-butyric acid Formula: C16H14N4O7 MolecularWeight: 374.30496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C16H14N4O7/c21-15(7-8-16(22)23)18-11-3-1-10(2-4-11)17-13-6-5-12(19(24)25)9-14(13)20(26)27/h1-6,9,17H,7-8H2,(H,18,21)(H,22,23)