N-(hydroxymethyl)-4-(3-methanoyl-4-nitro-phenoxy)-N-phenyl-butanamide

Systemtic Name: N-(hydroxymethyl)-4-(3-methanoyl-4-nitro-phenoxy)-N-phenyl-butanamide Openeye Name: 4-(3-formyl-4-nitro-phenoxy)-N-(hydroxymethyl)-N-phenyl-butanamide CAS Name: 4-(3-formyl-4-nitrophenoxy)-N-(hydroxymethyl)-N-phenylbutanamide IUPAC Name: 4-(3-formyl-4-nitrophenoxy)-N-(hydroxymethyl)-N-phenylbutanamide Traditional Name: 4-(3-formyl-4-nitro-phenoxy)-N-methylol-N-phenyl-butyramide Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CO)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC=C(C=C1)N(CO)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C18H18N2O6/c21-12-14-11-16(8-9-17(14)20(24)25)26-10-4-7-18(23)19(13-22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,22H,4,7,10,13H2