4-[bis(2-bromoethyl)amino]phenol; 4-nitrobenzoic acid

Systemtic Name: 4-[bis(2-bromoethyl)amino]phenol; 4-nitrobenzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]phenol; 4-nitrobenzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]phenol; 4-nitrobenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]phenol; 4-nitrobenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]phenol; 4-nitrobenzoic acid Formula: C17H18Br2N2O5 MolecularWeight: 490.14322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1N(CCBr)CCBr)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1N(CCBr)CCBr)O

InChI

InChI=1S/C10H13Br2NO.C7H5NO4/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,14H,5-8H2;1-4H,(H,9,10)