(4-nitrophenyl) 2-[[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl) 2-[[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl) 2-[[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[1H-benzimidazol-2-ylmethyl(methyl)amino]-oxomethyl]amino]-3-methylbutanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 2-[[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methyl-butyric acid (4-nitrophenyl) ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H23N5O5/c1-13(2)19(20(27)31-15-10-8-14(9-11-15)26(29)30)24-21(28)25(3)12-18-22-16-6-4-5-7-17(16)23-18/h4-11,13,19H,12H2,1-3H3,(H,22,23)(H,24,28)