[4-[bis(2-bromoethyl)amino]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C17H16Br2N2O4 MolecularWeight: 472.12794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)[N+](=O)[O-]

InChI

InChI=1S/C17H16Br2N2O4/c18-9-11-20(12-10-19)14-5-7-16(8-6-14)25-17(22)13-1-3-15(4-2-13)21(23)24/h1-8H,9-12H2