(2-nitrophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2-nitrophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-nitrobenzyl) ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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