[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H21FN4O7 MolecularWeight: 460.412443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O7/c1-13-3-2-8-24(11-13)18-7-4-14(9-19(18)26(31)32)21(28)33-12-20(27)23-17-10-15(25(29)30)5-6-16(17)22/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,23,27)