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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7/c1-26-9-8-18-16-7-6-14(20(24)25)10-15(16)17(21)27-11-12-2-4-13(5-3-12)19(22)23/h2-7,10,18H,8-9,11H2,1H3