2-[(5-nitro-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethyl N-(2-naphthalen-1-yloxyethyl)carbamate

Systemtic Name: 2-[(5-nitro-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethyl N-(2-naphthalen-1-yloxyethyl)carbamate Openeye Name: 2-(N-(5-nitro-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl N-[2-(1-naphthyloxy)ethyl]carbamate CAS Name: N-[2-(1-naphthalenyloxy)ethyl]carbamic acid 2-(N-[(5-nitro-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethyl ester IUPAC Name: 2-(N-(5-nitro-1-propylpyridin-1-ium-3-carbonyl)anilino)ethyl N-(2-naphthalen-1-yloxyethyl)carbamate Traditional Name: N-[2-(1-naphthoxy)ethyl]carbamic acid 2-(N-(5-nitro-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl ester Formula: C30H31N4O6+ MolecularWeight: 543.59034

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CCOC(=O)NCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CCOC(=O)NCCOC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C30H30N4O6/c1-2-16-32-21-24(20-26(22-32)34(37)38)29(35)33(25-11-4-3-5-12-25)17-19-40-30(36)31-15-18-39-28-14-8-10-23-9-6-7-13-27(23)28/h3-14,20-22H,2,15-19H2,1H3/p+1