N-[4-(2-dimethylaminoethylcarbamoyl)phenyl]-1-methyl-4-nitro-imidazole-2-carboxamide hydrochloride

Systemtic Name: N-[4-(2-dimethylaminoethylcarbamoyl)phenyl]-1-methyl-4-nitro-imidazole-2-carboxamide hydrochloride Openeye Name: N-[4-(2-dimethylaminoethylcarbamoyl)phenyl]-1-methyl-4-nitro-imidazole-2-carboxamide hydrochloride CAS Name: N-[4-[(2-dimethylaminoethylamino)-oxomethyl]phenyl]-1-methyl-4-nitro-2-imidazolecarboxamide hydrochloride IUPAC Name: N-[4-(2-dimethylaminoethylcarbamoyl)phenyl]-1-methyl-4-nitroimidazole-2-carboxamide hydrochloride Traditional Name: N-[4-(2-dimethylaminoethylcarbamoyl)phenyl]-1-methyl-4-nitro-imidazole-2-carboxamide hydrochloride Formula: C16H21ClN6O4 MolecularWeight: 396.82874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NC2=CC=C(C=C2)C(=O)NCCN(C)C)[N+](=O)[O-].Cl

Isomeric SMILES

CN1C=C(N=C1C(=O)NC2=CC=C(C=C2)C(=O)NCCN(C)C)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H20N6O4.ClH/c1-20(2)9-8-17-15(23)11-4-6-12(7-5-11)18-16(24)14-19-13(22(25)26)10-21(14)3;/h4-7,10H,8-9H2,1-3H3,(H,17,23)(H,18,24);1H