methyl 2-methyl-3-[(5-nitrothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[(5-nitrothiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 2-methyl-3-[(5-nitrothiophene-2-carbonyl)amino]benzoate CAS Name: 2-methyl-3-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[(5-nitrothiophene-2-carbonyl)amino]benzoate Traditional Name: 2-methyl-3-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H12N2O5S/c1-8-9(14(18)21-2)4-3-5-10(8)15-13(17)11-6-7-12(22-11)16(19)20/h3-7H,1-2H3,(H,15,17)