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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24BrN3O5/c1-14-7-9-25(10-8-14)19-6-3-16(12-20(19)26(29)30)22(28)31-13-21(27)24-17-4-5-18(23)15(2)11-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)