2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: 2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-(2-nitrophenyl)acryloyl]amino]benzoate Formula: C17H10N3O5- MolecularWeight: 336.2784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5/c18-10-12(9-11-5-1-4-8-15(11)20(24)25)16(21)19-14-7-3-2-6-13(14)17(22)23/h1-9H,(H,19,21)(H,22,23)/p-1/b12-9+