[(E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate

Systemtic Name: [(E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate Openeye Name: [(E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-1-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]ethylideneamino] ester IUPAC Name: [(E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino] ester Formula: C21H24N3O6+ MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-15(22-30-21(25)16-3-6-19(7-4-16)24(26)27)17-5-8-20(28-2)18(13-17)14-23-9-11-29-12-10-23/h3-8,13H,9-12,14H2,1-2H3/p+1/b22-15+