methyl 3-[4-methoxy-3-(3-phenoxypropoxy)phenyl]-4-nitro-pyrrolidine-1-carboxylate

Systemtic Name: methyl 3-[4-methoxy-3-(3-phenoxypropoxy)phenyl]-4-nitro-pyrrolidine-1-carboxylate Openeye Name: methyl 3-[4-methoxy-3-(3-phenoxypropoxy)phenyl]-4-nitro-pyrrolidine-1-carboxylate CAS Name: 3-[4-methoxy-3-(3-phenoxypropoxy)phenyl]-4-nitro-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-methoxy-3-(3-phenoxypropoxy)phenyl]-4-nitropyrrolidine-1-carboxylate Traditional Name: 3-[4-methoxy-3-(3-phenoxypropoxy)phenyl]-4-nitro-pyrrolidine-1-carboxylic acid methyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CC2[N+](=O)[O-])C(=O)OC)OCCCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2CN(CC2[N+](=O)[O-])C(=O)OC)OCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O7/c1-28-20-10-9-16(18-14-23(22(25)29-2)15-19(18)24(26)27)13-21(20)31-12-6-11-30-17-7-4-3-5-8-17/h3-5,7-10,13,18-19H,6,11-12,14-15H2,1-2H3