N-butyl-5-nitro-2-prop-2-ynoxy-benzamide

Systemtic Name: N-butyl-5-nitro-2-prop-2-ynoxy-benzamide Openeye Name: N-butyl-5-nitro-2-prop-2-ynoxy-benzamide CAS Name: N-butyl-5-nitro-2-prop-2-ynoxybenzamide IUPAC Name: N-butyl-5-nitro-2-prop-2-ynoxybenzamide Traditional Name: N-butyl-5-nitro-2-propargyloxy-benzamide Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC#C

Isomeric SMILES

CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C14H16N2O4/c1-3-5-8-15-14(17)12-10-11(16(18)19)6-7-13(12)20-9-4-2/h2,6-7,10H,3,5,8-9H2,1H3,(H,15,17)