N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-3-nitro-N-prop-2-ynyl-propanamide

Systemtic Name: N-[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-3-nitro-N-prop-2-ynyl-propanamide Openeye Name: N-[2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-3-nitro-N-prop-2-ynyl-propanamide CAS Name: N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-3-nitro-N-prop-2-ynylpropanamide IUPAC Name: N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-3-nitro-N-prop-2-ynylpropanamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]-3-nitro-N-propargyl-propionamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C(C1=CC=CC=C1)C(=O)NC2CCCCC2)C(=O)CC[N+](=O)[O-]

Isomeric SMILES

C#CCN(C(C1=CC=CC=C1)C(=O)NC2CCCCC2)C(=O)CC[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4/c1-2-14-22(18(24)13-15-23(26)27)19(16-9-5-3-6-10-16)20(25)21-17-11-7-4-8-12-17/h1,3,5-6,9-10,17,19H,4,7-8,11-15H2,(H,21,25)