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

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-3-nitro-benzamide Openeye Name: N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-3-nitro-benzamide CAS Name: N-[(Z)-1-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]ethylideneamino]-3-nitrobenzamide IUPAC Name: N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-3-nitrobenzamide Traditional Name: N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-3-nitro-benzamide Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3

InChI

InChI=1S/C21H24N4O5/c1-15(22-23-21(26)17-4-3-5-19(13-17)25(27)28)16-6-7-20(29-2)18(12-16)14-24-8-10-30-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)/p+1/b22-15-