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

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-21-7-6-18-16(21)15(11-4-3-5-13(8-11)26-2)20-17(23)14-9-12(10-19-14)22(24)25/h3-10,15,19H,1-2H3,(H,20,23)/t15-/m0/s1