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

Systemtic Name: methyl 4-[(2-azanyl-5-nitro-phenyl)amino]-4-sulfanylidene-butanoate Openeye Name: methyl 4-(2-amino-5-nitro-anilino)-4-thioxo-butanoate CAS Name: 4-(2-amino-5-nitroanilino)-4-sulfanylidenebutanoic acid methyl ester IUPAC Name: methyl 4-(2-amino-5-nitroanilino)-4-sulfanylidenebutanoate Traditional Name: 4-(2-amino-5-nitro-anilino)-4-thioxo-butyric acid methyl ester Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4S/c1-18-11(15)5-4-10(19)13-9-6-7(14(16)17)2-3-8(9)12/h2-3,6H,4-5,12H2,1H3,(H,13,19)