[methyl-(4-nitrophenyl)-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azaniumyl]methanoate

Systemtic Name: [methyl-(4-nitrophenyl)-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azaniumyl]methanoate Openeye Name: [(2-isopropylthiazol-4-yl)methyl-methyl-(4-nitrophenyl)ammonio]formate CAS Name: [methyl-(4-nitrophenyl)-[(2-propan-2-yl-4-thiazolyl)methyl]ammonio]formate IUPAC Name: [methyl-(4-nitrophenyl)-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azaniumyl]formate Traditional Name: [(2-isopropylthiazol-4-yl)methyl-methyl-(4-nitrophenyl)ammonio]formate Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C[N+](C)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=CS1)C[N+](C)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-10(2)14-16-11(9-23-14)8-18(3,15(19)20)13-6-4-12(5-7-13)17(21)22/h4-7,9-10H,8H2,1-3H3