N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitro-benzamide Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitro-benzamide CAS Name: N-[(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino]-4-nitrobenzamide IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitrobenzamide Traditional Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-4-nitro-benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C21H24N4O4/c1-15(22-23-21(26)16-5-8-19(9-6-16)25(27)28)17-7-10-20(29-2)18(13-17)14-24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,26)/p+1/b22-15-