3-[[4-[(2,4,6-trinitrophenyl)amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(2,4,6-trinitrophenyl)amino]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(2,4,6-trinitroanilino)benzoyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-(2,4,6-trinitroanilino)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-[[4-(2,4,6-trinitroanilino)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-(2,4,6-trinitroanilino)benzoyl]amino]benzoic acid Formula: C20H13N5O9 MolecularWeight: 467.34532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H13N5O9/c26-19(22-14-3-1-2-12(8-14)20(27)28)11-4-6-13(7-5-11)21-18-16(24(31)32)9-15(23(29)30)10-17(18)25(33)34/h1-10,21H,(H,22,26)(H,27,28)