4-azanylbutanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 4-azanylbutanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 4-aminobutanoate; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 4-aminobutanoate; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 4-aminobutanoate; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 4-aminobutyrate; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C14H14Cl2N3O4- MolecularWeight: 359.18466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C4H9NO2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;5-3-1-2-4(6)7/h1-5,13H;1-3,5H2,(H,6,7)/p-1