1-(3-azanyl-6-nitro-4-prop-2-ynoxy-1-benzothiophen-2-yl)propan-1-one

Systemtic Name: 1-(3-azanyl-6-nitro-4-prop-2-ynoxy-1-benzothiophen-2-yl)propan-1-one Openeye Name: 1-(3-amino-6-nitro-4-prop-2-ynoxy-benzothiophen-2-yl)propan-1-one CAS Name: 1-(3-amino-6-nitro-4-prop-2-ynoxy-1-benzothiophen-2-yl)-1-propanone IUPAC Name: 1-(3-amino-6-nitro-4-prop-2-ynoxy-1-benzothiophen-2-yl)propan-1-one Traditional Name: 1-(3-amino-6-nitro-4-propargyloxy-benzothiophen-2-yl)propan-1-one Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])OCC#C)N

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])OCC#C)N

InChI

InChI=1S/C14H12N2O4S/c1-3-5-20-10-6-8(16(18)19)7-11-12(10)13(15)14(21-11)9(17)4-2/h1,6-7H,4-5,15H2,2H3