ethyl 3-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(1-imidazolylmethyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-2-29-20(26)16-9-15(10-18(11-16)24(27)28)19(25)22-17-5-3-4-14(8-17)12-23-7-6-21-13-23/h3-11,13H,2,12H2,1H3,(H,22,25)