2-[[(3-methyl-1-benzothiophen-2-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3-methyl-1-benzothiophen-2-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3-methylbenzothiophene-2-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3-methylbenzothiophene-2-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N2O4S/c1-10-13-4-2-3-5-15(13)24-16(10)17(21)18-9-11-8-12(19(22)23)6-7-14(11)20/h2-8,20H,9H2,1H3,(H,18,21)/p-1