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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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