O1-methyl O3-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester O1-methyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7/c1-14-9-17(24-7-3-4-8-24)5-6-19(14)23-20(26)13-32-22(28)16-10-15(21(27)31-2)11-18(12-16)25(29)30/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,23,26)