(2-methyl-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-8-15-10(7-21-8)6-20-13(17)9-3-4-11(14-2)12(5-9)16(18)19/h3-5,7,14H,6H2,1-2H3