1-(1,3-benzothiazol-2-yl)-2-[4-(methylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(methylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(methylamino)-3-nitro-phenyl]ethanone CAS Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(methylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(methylamino)-3-nitrophenyl]ethanone Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-[4-(methylamino)-3-nitro-phenyl]ethanone Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)CC(=O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)CC(=O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-17-11-7-6-10(8-13(11)19(21)22)9-14(20)16-18-12-4-2-3-5-15(12)23-16/h2-8,17H,9H2,1H3