methyl 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N4O4S/c1-14(20-22-17-5-3-4-6-19(17)30-20)23-9-11-24(12-10-23)18-8-7-15(25(27)28)13-16(18)21(26)29-2/h3-8,13-14H,9-12H2,1-2H3