(2-methylphenyl)methyl 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-methylphenyl)methyl 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: o-tolylmethyl 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid (2-methylbenzyl) ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-11-4-2-3-5-12(11)10-25-16(20)9-18-26(23,24)13-6-7-14(17)15(8-13)19(21)22/h2-8,18H,9-10,17H2,1H3