4-[[3-(2,4-dinitrophenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(2,4-dinitrophenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2,4-dinitrophenoxy)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-(2,4-dinitrophenoxy)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(2,4-dinitrophenoxy)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-(2,4-dinitrophenoxy)anilino]-4-keto-butyric acid Formula: C16H13N3O8 MolecularWeight: 375.28972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C16H13N3O8/c20-15(6-7-16(21)22)17-10-2-1-3-12(8-10)27-14-5-4-11(18(23)24)9-13(14)19(25)26/h1-5,8-9H,6-7H2,(H,17,20)(H,21,22)