3-azanyl-4-(4-carboxyphenyl)-2,6-dinitro-benzoic acid

Systemtic Name: 3-azanyl-4-(4-carboxyphenyl)-2,6-dinitro-benzoic acid Openeye Name: 3-amino-4-(4-carboxyphenyl)-2,6-dinitro-benzoic acid CAS Name: 3-amino-4-(4-carboxyphenyl)-2,6-dinitrobenzoic acid IUPAC Name: 3-amino-4-(4-carboxyphenyl)-2,6-dinitrobenzoic acid Traditional Name: 3-amino-4-(4-carboxyphenyl)-2,6-dinitro-benzoic acid Formula: C14H9N3O8 MolecularWeight: 347.23656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C(=C2N)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C(=C2N)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H9N3O8/c15-11-8(6-1-3-7(4-2-6)13(18)19)5-9(16(22)23)10(14(20)21)12(11)17(24)25/h1-5H,15H2,(H,18,19)(H,20,21)