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methyl propanoate; 6-nitro-1H-benzimidazole

methyl propanoate; 6-nitro-1H-benzimidazole

Systemtic Name:methyl propanoate; 6-nitro-1H-benzimidazole
Openeye Name:methyl propanoate; 6-nitro-1H-benzimidazole
CAS Name:6-nitro-1H-benzimidazole; propanoic acid methyl ester
IUPAC Name:methyl propanoate; 6-nitro-1H-benzimidazole
Traditional Name:6-nitro-1H-benzimidazole; propionic acid methyl ester
Formula: C11H13N3O4
MolecularWeight: 251.23862
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC.C1=CC2=C(C=C1[N+](=O)[O-])NC=N2


Isomeric SMILES

CCC(=O)OC.C1=CC2=C(C=C1[N+](=O)[O-])NC=N2


InChI

InChI=1S/C7H5N3O2.C4H8O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;1-3-4(5)6-2/h1-4H,(H,8,9);3H2,1-2H3


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