methyl 3-azanyl-5-(3-methyl-4-nitro-phenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(3-methyl-4-nitro-phenyl)thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-(3-methyl-4-nitro-phenyl)thiophene-2-carboxylate CAS Name: 3-amino-5-(3-methyl-4-nitrophenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(3-methyl-4-nitrophenyl)thiophene-2-carboxylate Traditional Name: 3-amino-5-(3-methyl-4-nitro-phenyl)thiophene-2-carboxylic acid methyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(S2)C(=O)OC)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(S2)C(=O)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-7-5-8(3-4-10(7)15(17)18)11-6-9(14)12(20-11)13(16)19-2/h3-6H,14H2,1-2H3