[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate

Systemtic Name: [(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate Openeye Name: [(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino] ester IUPAC Name: [(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino] ester Formula: C21H24N3O5+ MolecularWeight: 398.43236

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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+]3CCCC3

Isomeric SMILES

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

InChI

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