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

Systemtic Name: O1-ethyl O3-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl 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-ethyl ester O3-[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)N3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)N3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7/c1-3-32-22(28)16-11-17(13-19(12-16)26(30)31)23(29)33-14-21(27)24-20-7-6-18(10-15(20)2)25-8-4-5-9-25/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,24,27)