(4-nitrophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7/c20-8-7-17-15-6-5-13(19(24)25)9-14(15)16(21)26-10-11-1-3-12(4-2-11)18(22)23/h1-6,9,17,20H,7-8,10H2