2-piperidin-1-ylethyl 5-chloranyl-2-methoxy-4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate

Systemtic Name: 2-piperidin-1-ylethyl 5-chloranyl-2-methoxy-4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate Openeye Name: 2-(1-piperidyl)ethyl 5-chloro-2-methoxy-4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate CAS Name: 5-chloro-2-methoxy-4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 5-chloro-2-methoxy-4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoate Traditional Name: 5-chloro-2-methoxy-4-[(7-nitrobenzofurazan-4-yl)amino]benzoic acid 2-piperidinoethyl ester Formula: C21H22ClN5O6 MolecularWeight: 475.88228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCCCC2)Cl)NC3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCCCC2)Cl)NC3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O6/c1-31-18-12-16(23-15-5-6-17(27(29)30)20-19(15)24-33-25-20)14(22)11-13(18)21(28)32-10-9-26-7-3-2-4-8-26/h5-6,11-12,23H,2-4,7-10H2,1H3