(4-carboxy-5-methyl-5-nitro-cyclohexa-1,3-dien-1-yl)-diethyl-pyridin-2-yl-azanium

Systemtic Name: (4-carboxy-5-methyl-5-nitro-cyclohexa-1,3-dien-1-yl)-diethyl-pyridin-2-yl-azanium Openeye Name: (4-carboxy-5-methyl-5-nitro-cyclohexa-1,3-dien-1-yl)-diethyl-(2-pyridyl)ammonium CAS Name: (4-carboxy-5-methyl-5-nitro-1-cyclohexa-1,3-dienyl)-diethyl-(2-pyridinyl)ammonium IUPAC Name: (4-carboxy-5-methyl-5-nitrocyclohexa-1,3-dien-1-yl)-diethyl-pyridin-2-ylazanium Traditional Name: (4-carboxy-5-methyl-5-nitro-cyclohexa-1,3-dien-1-yl)-diethyl-(2-pyridyl)ammonium Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1=CC=C(C(C1)(C)[N+](=O)[O-])C(=O)O)C2=CC=CC=N2

Isomeric SMILES

CC[N+](CC)(C1=CC=C(C(C1)(C)[N+](=O)[O-])C(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C17H21N3O4/c1-4-20(5-2,15-8-6-7-11-18-15)13-9-10-14(16(21)22)17(3,12-13)19(23)24/h6-11H,4-5,12H2,1-3H3/p+1