3,5-bis[(3,5-dinitrophenyl)carbonylamino]benzoic acid

Systemtic Name: 3,5-bis[(3,5-dinitrophenyl)carbonylamino]benzoic acid Openeye Name: 3,5-bis[(3,5-dinitrobenzoyl)amino]benzoic acid CAS Name: 3,5-bis[[(3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[(3,5-dinitrobenzoyl)amino]benzoic acid Traditional Name: 3,5-bis[(3,5-dinitrobenzoyl)amino]benzoic acid Formula: C21H12N6O12 MolecularWeight: 540.35298

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H12N6O12/c28-19(10-3-15(24(32)33)8-16(4-10)25(34)35)22-13-1-12(21(30)31)2-14(7-13)23-20(29)11-5-17(26(36)37)9-18(6-11)27(38)39/h1-9H,(H,22,28)(H,23,29)(H,30,31)