4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 4-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]-N-methyl-pyrrolidine-2-carboxamide CAS Name: 4-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 4-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]-N-methylpyrrolidine-2-carboxamide Traditional Name: N-methyl-4-[4-nitro-2-(veratrylcarbamoyl)anilino]pyrrolidine-2-carboxamide Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CNC(=O)C1CC(CN1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N5O6/c1-23-22(29)18-9-14(12-24-18)26-17-6-5-15(27(30)31)10-16(17)21(28)25-11-13-4-7-19(32-2)20(8-13)33-3/h4-8,10,14,18,24,26H,9,11-12H2,1-3H3,(H,23,29)(H,25,28)