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

Systemtic Name: methyl 3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]benzoate CAS Name: 3-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5/c1-27-18(24)13-3-2-4-14(9-13)20-17(23)12-5-6-15(16(10-12)22(25)26)21-8-7-19-11-21/h2-11H,1H3,(H,20,23)