N-[4-imidazol-1-yl-3-(methoxymethyl)quinolin-8-yl]-2-nitro-benzamide hydrochloride

Systemtic Name: N-[4-imidazol-1-yl-3-(methoxymethyl)quinolin-8-yl]-2-nitro-benzamide hydrochloride Openeye Name: N-[4-imidazol-1-yl-3-(methoxymethyl)-8-quinolyl]-2-nitro-benzamide hydrochloride CAS Name: N-[4-(1-imidazolyl)-3-(methoxymethyl)-8-quinolinyl]-2-nitrobenzamide hydrochloride IUPAC Name: N-[4-imidazol-1-yl-3-(methoxymethyl)quinolin-8-yl]-2-nitrobenzamide hydrochloride Traditional Name: N-[4-imidazol-1-yl-3-(methoxymethyl)-8-quinolyl]-2-nitro-benzamide hydrochloride Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN=C2C(=C1N3C=CN=C3)C=CC=C2NC(=O)C4=CC=CC=C4[N+](=O)[O-].Cl

Isomeric SMILES

COCC1=CN=C2C(=C1N3C=CN=C3)C=CC=C2NC(=O)C4=CC=CC=C4[N+](=O)[O-].Cl

InChI

InChI=1S/C21H17N5O4.ClH/c1-30-12-14-11-23-19-16(20(14)25-10-9-22-13-25)6-4-7-17(19)24-21(27)15-5-2-3-8-18(15)26(28)29;/h2-11,13H,12H2,1H3,(H,24,27);1H