4-[(3-carboxylato-4-oxidanyl-phenyl)amino]-3,5-dinitro-benzoate

Systemtic Name: 4-[(3-carboxylato-4-oxidanyl-phenyl)amino]-3,5-dinitro-benzoate Openeye Name: 4-(3-carboxylato-4-hydroxy-anilino)-3,5-dinitro-benzoate CAS Name: 4-(3-carboxylato-4-hydroxyanilino)-3,5-dinitrobenzoate IUPAC Name: 4-(3-carboxylato-4-hydroxyanilino)-3,5-dinitrobenzoate Traditional Name: 4-(3-carboxylato-4-hydroxy-anilino)-3,5-dinitro-benzoate Formula: C14H7N3O9-2 MolecularWeight: 361.22008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O9/c18-11-2-1-7(5-8(11)14(21)22)15-12-9(16(23)24)3-6(13(19)20)4-10(12)17(25)26/h1-5,15,18H,(H,19,20)(H,21,22)/p-2