(4-nitrophenyl)methyl 5-(2-azanylethanoyl)-4-nitro-2,1,3-benzoxadiazole-6-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-(2-azanylethanoyl)-4-nitro-2,1,3-benzoxadiazole-6-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-(2-aminoacetyl)-4-nitro-2,1,3-benzoxadiazole-6-carboxylate CAS Name: 5-(2-amino-1-oxoethyl)-4-nitro-2,1,3-benzoxadiazole-6-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(2-aminoacetyl)-4-nitro-2,1,3-benzoxadiazole-6-carboxylate Traditional Name: 6-glycyl-7-nitro-benzofurazan-5-carboxylic acid (4-nitrobenzyl) ester Formula: C16H11N5O8 MolecularWeight: 401.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC3=NON=C3C(=C2C(=O)CN)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC3=NON=C3C(=C2C(=O)CN)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O8/c17-6-12(22)13-10(5-11-14(19-29-18-11)15(13)21(26)27)16(23)28-7-8-1-3-9(4-2-8)20(24)25/h1-5H,6-7,17H2