4-(2-methoxyethylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

Systemtic Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Openeye Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide CAS Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Traditional Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-30-12-11-22-19-8-7-17(13-20(19)26(28)29)21(27)23-10-9-16-14-24-25(15-16)18-5-3-2-4-6-18/h2-8,13-15,22H,9-12H2,1H3,(H,23,27)