methyl 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoate Openeye Name: methyl 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoate CAS Name: 4-[(2-butyl-1-benzimidazolyl)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitrobenzoate Traditional Name: 4-[(2-butylbenzimidazol-1-yl)methyl]-3-nitro-benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-3-4-9-19-21-16-7-5-6-8-17(16)22(19)13-15-11-10-14(20(24)27-2)12-18(15)23(25)26/h5-8,10-12H,3-4,9,13H2,1-2H3