2-methyl-4-nitro-aniline; sulfanyl pyridine-3-carboxylate

Systemtic Name: 2-methyl-4-nitro-aniline; sulfanyl pyridine-3-carboxylate Openeye Name: 2-methyl-4-nitro-aniline; sulfanyl pyridine-3-carboxylate CAS Name: 2-methyl-4-nitroaniline; 3-pyridinecarboxylic acid mercapto ester IUPAC Name: 2-methyl-4-nitroaniline; sulfanyl pyridine-3-carboxylate Traditional Name: (2-methyl-4-nitro-phenyl)amine; nicotinic acid mercapto ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC(=CN=C1)C(=O)OS

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC(=CN=C1)C(=O)OS

InChI

InChI=1S/C7H8N2O2.C6H5NO2S/c1-5-4-6(9(10)11)2-3-7(5)8;8-6(9-10)5-2-1-3-7-4-5/h2-4H,8H2,1H3;1-4,10H