1,3-benzothiazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-17-11-7-6-10(8-13(11)19(21)22)16(20)23-9-15-18-12-4-2-3-5-14(12)24-15/h2-8,17H,9H2,1H3