propan-2-yl 3-(3H-benzimidazol-5-ylcarbonylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-(3H-benzimidazol-5-ylcarbonylamino)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-(3H-benzimidazole-5-carbonylamino)-3-(2-nitrophenyl)propanoate CAS Name: 3-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3H-benzimidazole-5-carbonylamino)-3-(2-nitrophenyl)propanoate Traditional Name: 3-(3H-benzimidazole-5-carbonylamino)-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C20H20N4O5/c1-12(2)29-19(25)10-16(14-5-3-4-6-18(14)24(27)28)23-20(26)13-7-8-15-17(9-13)22-11-21-15/h3-9,11-12,16H,10H2,1-2H3,(H,21,22)(H,23,26)