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

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-29-21(26)15-10-14(11-16(12-15)24(27)28)20(25)23-8-6-13(7-9-23)19-22-17-4-2-3-5-18(17)30-19/h2-5,10-13H,6-9H2,1H3