N-[4-(diethylamino)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-(diethylamino)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[4-(diethylamino)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-(diethylamino)phenyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[4-(diethylamino)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[4-(diethylamino)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-3-24(4-2)17-11-9-16(10-12-17)22-21(27)18-13-14-25(23-18)15-30-20-8-6-5-7-19(20)26(28)29/h5-14H,3-4,15H2,1-2H3,(H,22,27)