3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-chloranyl-4-nitro-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C17H14ClN3O5 MolecularWeight: 375.76316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O5/c18-13-10-11(21(24)25)6-7-12(13)16(22)26-9-3-8-20-15-5-2-1-4-14(15)19-17(20)23/h1-2,4-7,10H,3,8-9H2,(H,19,23)