2-[2,6-dimethyl-4-(3-nitrophenyl)-1H-quinoxalin-5-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1H-quinoxalin-5-yl]pyridine-3-carboxylic acid Openeye Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1H-quinoxalin-5-yl]pyridine-3-carboxylic acid CAS Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1H-quinoxalin-5-yl]-3-pyridinecarboxylic acid IUPAC Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1H-quinoxalin-5-yl]pyridine-3-carboxylic acid Traditional Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1H-quinoxalin-5-yl]nicotinic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=CN2C3=CC(=CC=C3)[N+](=O)[O-])C)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=CN2C3=CC(=CC=C3)[N+](=O)[O-])C)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C22H18N4O4/c1-13-8-9-18-21(19(13)20-17(22(27)28)7-4-10-23-20)25(12-14(2)24-18)15-5-3-6-16(11-15)26(29)30/h3-12,24H,1-2H3,(H,27,28)