ethyl 3-[[(1-methylimidazol-2-yl)-phenyl-methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(1-methylimidazol-2-yl)-phenyl-methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(1-methylimidazol-2-yl)-phenyl-methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1-methyl-2-imidazolyl)-phenylmethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1-methylimidazol-2-yl)-phenyl-methyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-3-30-21(27)16-11-15(12-17(13-16)25(28)29)20(26)23-18(14-7-5-4-6-8-14)19-22-9-10-24(19)2/h4-13,18H,3H2,1-2H3,(H,23,26)