1-[4-methoxy-3-[[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]oxymethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]oxymethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneamino]oxymethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(E)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methylideneamino]oxymethyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]oxymethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(E)-(3-nitro-4-pyrrolidino-benzylidene)amino]oxymethyl]phenyl]ethanone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CON=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CO/N=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-15(25)17-6-8-21(28-2)18(12-17)14-29-22-13-16-5-7-19(20(11-16)24(26)27)23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3/b22-13+