3-methoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-N-[3-(morpholinomethyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[3-(4-morpholinylmethyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-N-[3-(morpholinomethyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3CCOCC3

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3CCOCC3

InChI

InChI=1S/C16H19N5O5/c1-25-16-14(21(23)24)13(18-19-16)15(22)17-12-4-2-3-11(9-12)10-20-5-7-26-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,17,22)(H,18,19)