ethyl 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonylamino]benzoate Openeye Name: ethyl 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonylamino]benzoate CAS Name: 4-[[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxycarbonylamino]benzoate Traditional Name: 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonylamino]benzoic acid ethyl ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCN2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O6/c1-3-25-15(21)12-4-6-13(7-5-12)18-16(22)26-9-8-19-11(2)17-10-14(19)20(23)24/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)