4-chloranyl-3-nitro-benzoate; 5-(3-chlorophenyl)-N,N-diethyl-1,2,3,4-tetrazolidin-2-ium-2-amine

Systemtic Name: 4-chloranyl-3-nitro-benzoate; 5-(3-chlorophenyl)-N,N-diethyl-1,2,3,4-tetrazolidin-2-ium-2-amine Openeye Name: 4-chloro-3-nitro-benzoate; 5-(3-chlorophenyl)-N,N-diethyl-tetrazolidin-2-ium-2-amine CAS Name: 4-chloro-3-nitrobenzoate; 5-(3-chlorophenyl)-N,N-diethyl-2-tetrazolidin-2-iumamine IUPAC Name: 4-chloro-3-nitrobenzoate; 5-(3-chlorophenyl)-N,N-diethyltetrazolidin-2-ium-2-amine Traditional Name: 4-chloro-3-nitro-benzoate; [5-(3-chlorophenyl)tetrazolidin-2-ium-2-yl]-diethyl-amine Formula: C18H22Cl2N6O4 MolecularWeight: 457.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[NH+]1NC(NN1)C2=CC(=CC=C2)Cl.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)[NH+]1NC(NN1)C2=CC(=CC=C2)Cl.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C11H18ClN5.C7H4ClNO4/c1-3-16(4-2)17-14-11(13-15-17)9-6-5-7-10(12)8-9;8-5-2-1-4(7(10)11)3-6(5)9(12)13/h5-8,11,13-15H,3-4H2,1-2H3;1-3H,(H,10,11)