4-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-nitrophenyl)acryloyl]amino]benzoate Formula: C17H10N3O5- MolecularWeight: 336.2784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5/c18-10-13(9-11-1-7-15(8-2-11)20(24)25)16(21)19-14-5-3-12(4-6-14)17(22)23/h1-9H,(H,19,21)(H,22,23)/p-1/b13-9+