ethyl 3-(1-imidazol-1-ylpropan-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(1-imidazol-1-ylpropan-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-[(2-imidazol-1-yl-1-methyl-ethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(1-imidazolyl)propan-2-ylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(1-imidazol-1-ylpropan-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-[(2-imidazol-1-yl-1-methyl-ethyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)CN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)CN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-3-25-16(22)13-6-12(7-14(8-13)20(23)24)15(21)18-11(2)9-19-5-4-17-10-19/h4-8,10-11H,3,9H2,1-2H3,(H,18,21)