methyl N-[[4-(methoxycarbonylamino)-2-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-(methoxycarbonylamino)-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(methoxycarbonylamino)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(methoxycarbonylamino)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(methoxycarbonylamino)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(carbomethoxyamino)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C11H12N4O6S MolecularWeight: 328.30118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O6S/c1-20-10(16)12-6-3-4-7(8(5-6)15(18)19)13-9(22)14-11(17)21-2/h3-5H,1-2H3,(H,12,16)(H2,13,14,17,22)