6-[(4-iodanyl-2-methyl-phenyl)amino]-8-nitro-quinoxaline-5-carboxylic acid

Systemtic Name: 6-[(4-iodanyl-2-methyl-phenyl)amino]-8-nitro-quinoxaline-5-carboxylic acid Openeye Name: 6-(4-iodo-2-methyl-anilino)-8-nitro-quinoxaline-5-carboxylic acid CAS Name: 6-(4-iodo-2-methylanilino)-8-nitro-5-quinoxalinecarboxylic acid IUPAC Name: 6-(4-iodo-2-methylanilino)-8-nitroquinoxaline-5-carboxylic acid Traditional Name: 6-(4-iodo-2-methyl-anilino)-8-nitro-quinoxaline-5-carboxylic acid Formula: C16H11IN4O4 MolecularWeight: 450.18741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=CC(=C3C(=C2C(=O)O)N=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=CC(=C3C(=C2C(=O)O)N=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H11IN4O4/c1-8-6-9(17)2-3-10(8)20-11-7-12(21(24)25)14-15(13(11)16(22)23)19-5-4-18-14/h2-7,20H,1H3,(H,22,23)