2-[methyl-(5-nitronaphthalen-1-yl)carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(5-nitronaphthalen-1-yl)carbothioyl-amino]ethanoic acid Openeye Name: 2-[methyl-(5-nitronaphthalene-1-carbothioyl)amino]acetic acid CAS Name: 2-[methyl-[(5-nitro-1-naphthalenyl)-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-(5-nitronaphthalene-1-carbothioyl)amino]acetic acid Traditional Name: 2-[methyl-(5-nitronaphthalene-1-carbothioyl)amino]acetic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-15(8-13(17)18)14(21)11-6-2-5-10-9(11)4-3-7-12(10)16(19)20/h2-7H,8H2,1H3,(H,17,18)