N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(S)-(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C2=CC=C(C=C2)OC)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](C2=CC=C(C=C2)OC)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-13-4-5-15(12-17(13)24(26)27)20(25)22-18(19-21-10-11-23(19)2)14-6-8-16(28-3)9-7-14/h4-12,18H,1-3H3,(H,22,25)/t18-/m0/s1