ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: benzyl-ethyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O3/c1-3-20(12-15-7-5-4-6-8-15)13-18(22)19-17-11-16(21(23)24)10-9-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,19,22)/p+1