2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-methanoylbenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-methanoylbenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c1-10-15-8-13(17(20)21)16(10)6-7-22-14(19)12-4-2-11(9-18)3-5-12/h2-5,8-9H,6-7H2,1H3