3-(4-azanyl-3-nitro-phenyl)propanethial

Systemtic Name: 3-(4-azanyl-3-nitro-phenyl)propanethial Openeye Name: 3-(4-amino-3-nitro-phenyl)propanethial CAS Name: 3-(4-amino-3-nitrophenyl)propanethial IUPAC Name: 3-(4-amino-3-nitrophenyl)propanethial Traditional Name: 3-(4-amino-3-nitro-phenyl)thiopropionaldehyde Formula: C9H10N2O2S MolecularWeight: 210.2529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC=S)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1CCC=S)[N+](=O)[O-])N

InChI

InChI=1S/C9H10N2O2S/c10-8-4-3-7(2-1-5-14)6-9(8)11(12)13/h3-6H,1-2,10H2