methyl 7-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]heptanoate Openeye Name: methyl 7-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]heptanoate CAS Name: 7-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]heptanoate Traditional Name: 7-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]enanthic acid methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-27-17(23)6-4-2-3-5-9-20-18(24)14-7-8-15(16(12-14)22(25)26)21-11-10-19-13-21/h7-8,10-13H,2-6,9H2,1H3,(H,20,24)