[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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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)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5/c1-17-11-13-27(14-12-17)21-10-5-18(15-22(21)28(31)32)24(30)33-16-23(29)26-20-8-6-19(7-9-20)25(2,3)4/h5-10,15,17H,11-14,16H2,1-4H3,(H,26,29)