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

Systemtic Name: 4-chloranyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-[3-(morpholinomethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[3-(4-morpholinylmethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-[3-(morpholinomethyl)phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN5O4/c16-12-13(18-19-14(12)21(23)24)15(22)17-11-3-1-2-10(8-11)9-20-4-6-25-7-5-20/h1-3,8H,4-7,9H2,(H,17,22)(H,18,19)