methyl 3-acetyloxy-4-[(2-azanyl-5-nitro-phenyl)amino]-4-sulfanylidene-butanoate

Systemtic Name: methyl 3-acetyloxy-4-[(2-azanyl-5-nitro-phenyl)amino]-4-sulfanylidene-butanoate Openeye Name: methyl 3-acetoxy-4-(2-amino-5-nitro-anilino)-4-thioxo-butanoate CAS Name: 3-acetyloxy-4-(2-amino-5-nitroanilino)-4-sulfanylidenebutanoic acid methyl ester IUPAC Name: methyl 3-acetyloxy-4-(2-amino-5-nitroanilino)-4-sulfanylidenebutanoate Traditional Name: 3-acetoxy-4-(2-amino-5-nitro-anilino)-4-thioxo-butyric acid methyl ester Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6S/c1-7(17)22-11(6-12(18)21-2)13(23)15-10-5-8(16(19)20)3-4-9(10)14/h3-5,11H,6,14H2,1-2H3,(H,15,23)