[6-[(2,6-dimethyl-3-nitro-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid

Systemtic Name: [6-[(2,6-dimethyl-3-nitro-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Openeye Name: [6-[(2,6-dimethyl-3-nitro-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid CAS Name: [6-[(2,6-dimethyl-3-nitroanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid IUPAC Name: [6-[(2,6-dimethyl-3-nitrophenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Traditional Name: [6-[(2,6-dimethyl-3-nitro-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)O

InChI

InChI=1S/C17H14N4O5S/c1-8-3-6-12(21(25)26)9(2)14(8)19-15(22)10-4-5-11-13(7-10)27-16(18-11)20-17(23)24/h3-7H,1-2H3,(H,18,20)(H,19,22)(H,23,24)