4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carbaldehyde CAS Name: 4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-1-carbaldehyde Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C=O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C14H15N3O4S/c1-10(11-2-3-13(22)12(8-11)17(20)21)14(19)16-6-4-15(9-18)5-7-16/h2-3,8-9,22H,1,4-7H2