methyl 3-[(5-azanyl-4-nitro-thiophen-2-yl)amino]butanoate

Systemtic Name: methyl 3-[(5-azanyl-4-nitro-thiophen-2-yl)amino]butanoate Openeye Name: methyl 3-[(5-amino-4-nitro-2-thienyl)amino]butanoate CAS Name: 3-[(5-amino-4-nitro-2-thiophenyl)amino]butanoic acid methyl ester IUPAC Name: methyl 3-[(5-amino-4-nitrothiophen-2-yl)amino]butanoate Traditional Name: 3-[(5-amino-4-nitro-2-thienyl)amino]butyric acid methyl ester Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC1=CC(=C(S1)N)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)NC1=CC(=C(S1)N)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4S/c1-5(3-8(13)16-2)11-7-4-6(12(14)15)9(10)17-7/h4-5,11H,3,10H2,1-2H3