4-[[4-[bis(2-hydroxyethyl)amino]-2-nitro-phenyl]amino]benzoic acid

Systemtic Name: 4-[[4-[bis(2-hydroxyethyl)amino]-2-nitro-phenyl]amino]benzoic acid Openeye Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-nitro-anilino]benzoic acid CAS Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]benzoic acid IUPAC Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]benzoic acid Traditional Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-nitro-anilino]benzoic acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c21-9-7-19(8-10-22)14-5-6-15(16(11-14)20(25)26)18-13-3-1-12(2-4-13)17(23)24/h1-6,11,18,21-22H,7-10H2,(H,23,24)