(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H19N3O8 MolecularWeight: 465.41226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O8/c27-23(33-13-17-9-19(26(30)31)8-16-12-32-14-34-22(16)17)20-10-18(25(28)29)6-7-21(20)24-11-15-4-2-1-3-5-15/h1-10,24H,11-14H2