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

Systemtic Name: (4-nitrophenyl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (4-nitrophenyl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (4-nitrobenzyl) ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c15-13-6-5-11(17(21)22)7-12(13)14(18)23-8-9-1-3-10(4-2-9)16(19)20/h1-7H,8,15H2