4-[[4-[(3,5-dinitrophenyl)amino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(3,5-dinitrophenyl)amino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3,5-dinitroanilino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(3,5-dinitroanilino)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(3,5-dinitroanilino)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(3,5-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=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

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

InChI

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