8-azanyl-7-oxidanylidene-nonanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 8-azanyl-7-oxidanylidene-nonanoic acid; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 8-amino-7-oxo-nonanoic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 8-amino-7-oxononanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 8-amino-7-oxononanoic acid; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 8-amino-7-keto-pelargonic acid; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C19H23Cl2N3O5 MolecularWeight: 444.30902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCCCCC(=O)O)N.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

Isomeric SMILES

CC(C(=O)CCCCCC(=O)O)N.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

InChI

InChI=1S/C10H6Cl2N2O2.C9H17NO3/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-7(10)8(11)5-3-2-4-6-9(12)13/h1-5,13H;7H,2-6,10H2,1H3,(H,12,13)