ethyl-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]ammonium CAS Name: ethyl-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]azanium Traditional Name: benzyl-ethyl-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]ammonium Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)CC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O4/c1-3-21(14-15-7-5-4-6-8-15)12-11-19(23)20-17-13-16(22(24)25)9-10-18(17)26-2/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,23)/p+1