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

Systemtic Name: 2-azanyl-3-oxidanylidene-butanoate; 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole Openeye Name: 2-amino-3-oxo-butanoate; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole CAS Name: 2-amino-3-oxobutanoate; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole IUPAC Name: 2-amino-3-oxobutanoate; 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole Traditional Name: 2-amino-3-keto-butyrate; 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole Formula: C14H12Cl2N3O5- MolecularWeight: 373.16818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O2.C4H7NO3/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;1-2(6)3(5)4(7)8/h1-5,13H;3H,5H2,1H3,(H,7,8)/p-1