ethyl 3-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(2-methyl-4-pyrimidinyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5/c1-3-30-21(27)16-9-15(11-18(12-16)25(28)29)20(26)24-17-6-4-5-14(10-17)19-7-8-22-13(2)23-19/h4-12H,3H2,1-2H3,(H,24,26)