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

Systemtic Name: [2-azanylidene-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethyl] 4-nitrobenzoate Openeye Name: [2-imino-2-[4-methoxy-3-(morpholinomethyl)phenyl]ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-imino-2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]ethyl] ester IUPAC Name: [2-imino-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-imino-2-[4-methoxy-3-(morpholinomethyl)phenyl]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=N)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=N)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCOCC3

InChI

InChI=1S/C21H23N3O6/c1-28-20-7-4-16(12-17(20)13-23-8-10-29-11-9-23)19(22)14-30-21(25)15-2-5-18(6-3-15)24(26)27/h2-7,12,22H,8-11,13-14H2,1H3