4-[(4-aminophenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(4-aminoanilino)-3,5-dinitro-benzoic acid CAS Name: 4-(4-aminoanilino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(4-aminoanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(4-aminoanilino)-3,5-dinitro-benzoic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c14-8-1-3-9(4-2-8)15-12-10(16(20)21)5-7(13(18)19)6-11(12)17(22)23/h1-6,15H,14H2,(H,18,19)