[methylsulfonyl-(4-nitro-2-phenoxy-phenyl)amino]methyl 3-(nitrooxymethyl)benzoate

Systemtic Name: [methylsulfonyl-(4-nitro-2-phenoxy-phenyl)amino]methyl 3-(nitrooxymethyl)benzoate Openeye Name: (N-methylsulfonyl-4-nitro-2-phenoxy-anilino)methyl 3-(nitrooxymethyl)benzoate CAS Name: 3-(nitrooxymethyl)benzoic acid (N-methylsulfonyl-4-nitro-2-phenoxyanilino)methyl ester IUPAC Name: (N-methylsulfonyl-4-nitro-2-phenoxyanilino)methyl 3-(nitrooxymethyl)benzoate Traditional Name: 3-(nitrooxymethyl)benzoic acid (N-mesyl-4-nitro-2-phenoxy-anilino)methyl ester Formula: C22H19N3O10S MolecularWeight: 517.46536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(COC(=O)C1=CC(=CC=C1)CO[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(COC(=O)C1=CC(=CC=C1)CO[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O10S/c1-36(31,32)23(15-33-22(26)17-7-5-6-16(12-17)14-34-25(29)30)20-11-10-18(24(27)28)13-21(20)35-19-8-3-2-4-9-19/h2-13H,14-15H2,1H3