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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC(=C(C=C2)NCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC(=C(C=C2)NCCO)[N+](=O)[O-]

InChI

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