3-(4-nitroimidazol-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-(4-nitroimidazol-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-(4-nitroimidazol-1-yl)propanamide CAS Name: 3-(4-nitro-1-imidazolyl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-(4-nitroimidazol-1-yl)propionamide Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4/c20-13(6-7-18-9-12(16-10-18)19(22)23)17-14(21)15-8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,15,17,20,21)