4-(2-azanyl-6-chloranyl-3-methyl-phenyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(2-azanyl-6-chloranyl-3-methyl-phenyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2-amino-6-chloro-3-methyl-phenyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(2-amino-6-chloro-3-methylphenyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(2-amino-6-chloro-3-methylphenyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2-amino-6-chloro-3-methyl-phenyl)thio]-3-nitro-benzoic acid Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C14H11ClN2O4S/c1-7-2-4-9(15)13(12(7)16)22-11-5-3-8(14(18)19)6-10(11)17(20)21/h2-6H,16H2,1H3,(H,18,19)