2-[(2-methyl-5-nitro-phenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(2-methyl-5-nitro-anilino)-5-nitro-benzoic acid CAS Name: 2-(2-methyl-5-nitroanilino)-5-nitrobenzoic acid IUPAC Name: 2-(2-methyl-5-nitroanilino)-5-nitrobenzoic acid Traditional Name: 2-(2-methyl-5-nitro-anilino)-5-nitro-benzoic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11N3O6/c1-8-2-3-10(17(22)23)7-13(8)15-12-5-4-9(16(20)21)6-11(12)14(18)19/h2-7,15H,1H3,(H,18,19)