ethyl 4-[(3-nitrophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: ethyl 4-[(3-nitrophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate Openeye Name: ethyl 4-[(3-nitrophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate CAS Name: 4-[(3-nitroanilino)-oxomethyl]-1H-imidazol-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitrophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate Traditional Name: 4-[(3-nitrophenyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylic acid ethyl ester Formula: C13H13N4O5+ MolecularWeight: 305.26612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CN1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CN1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-2-22-13(19)11-10(14-7-15-11)12(18)16-8-4-3-5-9(6-8)17(20)21/h3-7H,2H2,1H3,(H,14,15)(H,16,18)/p+1