2,6-bis(azanyl)-4-(2-chloranyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-bis(azanyl)-4-(2-chloranyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-diamino-4-(2-chloro-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-diamino-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-diamino-4-(2-chloro-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-diamino-4-(2-chloro-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C13H11ClN4O6 MolecularWeight: 354.70264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)N)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)N)N)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN4O6/c14-6-2-1-4(18(23)24)3-5(6)7-8(12(19)20)10(15)17-11(16)9(7)13(21)22/h1-3,7,17H,15-16H2,(H,19,20)(H,21,22)