4-[(2,4-dichlorophenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(2,4-dichlorophenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(2,4-dichloroanilino)-3,5-dinitro-benzoic acid CAS Name: 4-(2,4-dichloroanilino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(2,4-dichloroanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(2,4-dichloroanilino)-3,5-dinitro-benzoic acid Formula: C13H7Cl2N3O6 MolecularWeight: 372.11718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H7Cl2N3O6/c14-7-1-2-9(8(15)5-7)16-12-10(17(21)22)3-6(13(19)20)4-11(12)18(23)24/h1-5,16H,(H,19,20)