methyl 3-[2-(3-nitrophenoxy)ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-(3-nitrophenoxy)ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(3-nitrophenoxy)acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-nitrophenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(3-nitrophenoxy)acetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-28-20(25)14-7-8-18(22-9-2-3-10-22)17(11-14)21-19(24)13-29-16-6-4-5-15(12-16)23(26)27/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,24)