2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]amino]-5-nitro-benzoic acid

Systemtic Name: 2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]amino]-5-nitro-benzoic acid Openeye Name: 2-[4-(2-hydroxyethylamino)-3-nitro-anilino]-5-nitro-benzoic acid CAS Name: 2-[4-(2-hydroxyethylamino)-3-nitroanilino]-5-nitrobenzoic acid IUPAC Name: 2-[4-(2-hydroxyethylamino)-3-nitroanilino]-5-nitrobenzoic acid Traditional Name: 2-[4-(2-hydroxyethylamino)-3-nitro-anilino]-5-nitro-benzoic acid Formula: C15H14N4O7 MolecularWeight: 362.29426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])NCCO

InChI

InChI=1S/C15H14N4O7/c20-6-5-16-13-3-1-9(7-14(13)19(25)26)17-12-4-2-10(18(23)24)8-11(12)15(21)22/h1-4,7-8,16-17,20H,5-6H2,(H,21,22)