N-[3-(dimethylamino)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=NN(C=C1)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNC(=O)C1=NN(C=C1)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4/c1-19(2)10-5-9-17-16(22)13-8-11-20(18-13)12-25-15-7-4-3-6-14(15)21(23)24/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,17,22)