tert-butyl N-[2-[(2-azanyl-5-nitro-phenyl)amino]-2-sulfanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(2-azanyl-5-nitro-phenyl)amino]-2-sulfanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-amino-5-nitro-anilino)-2-thioxo-ethyl]carbamate CAS Name: N-[2-(2-amino-5-nitroanilino)-2-sulfanylideneethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-amino-5-nitroanilino)-2-sulfanylideneethyl]carbamate Traditional Name: N-[2-(2-amino-5-nitro-anilino)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C13H18N4O4S/c1-13(2,3)21-12(18)15-7-11(22)16-10-6-8(17(19)20)4-5-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,18)(H,16,22)