[2-azanylidene-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 4-nitrobenzoate

Systemtic Name: [2-azanylidene-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 4-nitrobenzoate Openeye Name: [2-imino-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-imino-2-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]ethyl] ester IUPAC Name: [2-imino-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-imino-2-[4-methoxy-3-(pyrrolidinomethyl)phenyl]ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=N)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=N)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCCC3

InChI

InChI=1S/C21H23N3O5/c1-28-20-9-6-16(12-17(20)13-23-10-2-3-11-23)19(22)14-29-21(25)15-4-7-18(8-5-15)24(26)27/h4-9,12,22H,2-3,10-11,13-14H2,1H3