[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C22H21N5O7S MolecularWeight: 499.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O7S/c1-13-6-8-25(9-7-13)17-5-2-14(10-18(17)27(32)33)21(29)34-12-20(28)24-22-23-16-4-3-15(26(30)31)11-19(16)35-22/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,24,28)