methanamide; N-(1-methyl-4-propyl-pyrrol-3-yl)-5-nitro-2-propoxy-benzamide

Systemtic Name: methanamide; N-(1-methyl-4-propyl-pyrrol-3-yl)-5-nitro-2-propoxy-benzamide Openeye Name: formamide; N-(1-methyl-4-propyl-pyrrol-3-yl)-5-nitro-2-propoxy-benzamide CAS Name: formamide; N-(1-methyl-4-propyl-3-pyrrolyl)-5-nitro-2-propoxybenzamide IUPAC Name: formamide; N-(1-methyl-4-propylpyrrol-3-yl)-5-nitro-2-propoxybenzamide Traditional Name: formamide; N-(1-methyl-4-propyl-pyrrol-3-yl)-5-nitro-2-propoxy-benzamide Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCC)C.C(=O)N

Isomeric SMILES

CCCC1=CN(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCC)C.C(=O)N

InChI

InChI=1S/C18H23N3O4.CH3NO/c1-4-6-13-11-20(3)12-16(13)19-18(22)15-10-14(21(23)24)7-8-17(15)25-9-5-2;2-1-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,22);1H,(H2,2,3)