methyl 4-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]butanoate CAS Name: 4-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]butanoate Traditional Name: 4-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]butyric acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-24-14(20)3-2-6-17-15(21)11-4-5-12(13(9-11)19(22)23)18-8-7-16-10-18/h4-5,7-10H,2-3,6H2,1H3,(H,17,21)