methyl 3-[(3-methyl-5-nitro-imidazol-4-yl)-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(3-methyl-5-nitro-imidazol-4-yl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(3-methyl-5-nitro-imidazol-4-yl)anilino)propanoate CAS Name: 3-(N-(3-methyl-5-nitro-4-imidazolyl)anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(3-methyl-5-nitroimidazol-4-yl)anilino)propanoate Traditional Name: 3-(N-(3-methyl-5-nitro-imidazol-4-yl)anilino)propionic acid methyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N(CCC(=O)OC)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N(CCC(=O)OC)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c1-16-10-15-13(18(20)21)14(16)17(9-8-12(19)22-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3