2,4-bis(azanyl)butanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole

Systemtic Name: 2,4-bis(azanyl)butanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2,4-diaminobutanoate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2,4-diaminobutanoate IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; 2,4-diaminobutanoate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; 2,4-diaminobutyrate Formula: C14H15Cl2N4O4- MolecularWeight: 374.1993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C4H10N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;5-2-1-3(6)4(7)8/h1-5,13H;3H,1-2,5-6H2,(H,7,8)/p-1