(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid (1-propyltetrazol-5-yl)methyl ester Formula: C14H18N6O6S MolecularWeight: 398.39432

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O6S/c1-3-6-19-13(16-17-18-19)9-26-14(21)8-15-11-5-4-10(27(2,24)25)7-12(11)20(22)23/h4-5,7,15H,3,6,8-9H2,1-2H3