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(E)-but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone

(E)-but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone

Systemtic Name:(E)-but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone
Openeye Name:(2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone; fumaric acid
CAS Name:(E)-2-butenedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)-1-imidazolyl]-5-nitrophenyl]methanone
IUPAC Name:(E)-but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone
Traditional Name:(2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitro-phenyl]methanone; fumaric acid
Formula: C25H25ClN4O7
MolecularWeight: 528.9416
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C21H21ClN4O3.C4H4O4/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22;5-3(6)1-2-4(7)8/h5-13H,3-4,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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