5-[1-(2-acetamidoethoxycarbonyl)-2,6-dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[1-(2-acetamidoethoxycarbonyl)-2,6-dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[1-(2-acetamidoethoxycarbonyl)-2,6-dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[1-[2-acetamidoethoxy(oxo)methyl]-2,6-dimethyl-4-nitro-1-cyclohexa-2,5-dienyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[1-(2-acetamidoethoxycarbonyl)-2,6-dimethyl-4-nitrocyclohexa-2,5-dien-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[1-(2-acetamidoethoxycarbonyl)-2,6-dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl]nicotinic acid Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=C(C1(C2=CN=CC(=C2)C(=O)O)C(=O)OCCNC(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C=C(C1(C2=CN=CC(=C2)C(=O)O)C(=O)OCCNC(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7/c1-11-6-16(22(27)28)7-12(2)19(11,18(26)29-5-4-21-13(3)23)15-8-14(17(24)25)9-20-10-15/h6-10,16H,4-5H2,1-3H3,(H,21,23)(H,24,25)