N-(4-isocyano-2-nitro-phenyl)-N-(3-methylbutyl)-2-phenylmethoxy-ethanamide

Systemtic Name: N-(4-isocyano-2-nitro-phenyl)-N-(3-methylbutyl)-2-phenylmethoxy-ethanamide Openeye Name: 2-benzyloxy-N-(4-isocyano-2-nitro-phenyl)-N-isopentyl-acetamide CAS Name: N-(4-isocyano-2-nitrophenyl)-N-(3-methylbutyl)-2-phenylmethoxyacetamide IUPAC Name: N-(4-isocyano-2-nitrophenyl)-N-(3-methylbutyl)-2-phenylmethoxyacetamide Traditional Name: 2-benzoxy-N-isoamyl-N-(4-isocyano-2-nitro-phenyl)acetamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-])C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(C1=C(C=C(C=C1)[N+]#[C-])[N+](=O)[O-])C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4/c1-16(2)11-12-23(19-10-9-18(22-3)13-20(19)24(26)27)21(25)15-28-14-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-2H3