(Z)-2-cyano-3-[(7-nitro-1-benzothiophen-3-yl)amino]prop-2-enoic acid

Systemtic Name: (Z)-2-cyano-3-[(7-nitro-1-benzothiophen-3-yl)amino]prop-2-enoic acid Openeye Name: (Z)-2-cyano-3-[(7-nitrobenzothiophen-3-yl)amino]prop-2-enoic acid CAS Name: (Z)-2-cyano-3-[(7-nitro-1-benzothiophen-3-yl)amino]-2-propenoic acid IUPAC Name: (Z)-2-cyano-3-[(7-nitro-1-benzothiophen-3-yl)amino]prop-2-enoic acid Traditional Name: (Z)-2-cyano-3-[(7-nitrobenzothiophen-3-yl)amino]acrylic acid Formula: C12H7N3O4S MolecularWeight: 289.26668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC=C2NC=C(C#N)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC=C2N/C=C(/C#N)\C(=O)O

InChI

InChI=1S/C12H7N3O4S/c13-4-7(12(16)17)5-14-9-6-20-11-8(9)2-1-3-10(11)15(18)19/h1-3,5-6,14H,(H,16,17)/b7-5-