[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamoylcarbamic acid

Systemtic Name: [(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamoylcarbamic acid Openeye Name: [(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamoylcarbamic acid CAS Name: [[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-oxomethyl]carbamic acid IUPAC Name: [(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamoylcarbamic acid Traditional Name: [(E)-2-cyano-3-(3,4-dimethoxyphenyl)acryloyl]carbamoylcarbamic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC(=O)NC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC(=O)NC(=O)O)OC

InChI

InChI=1S/C14H13N3O6/c1-22-10-4-3-8(6-11(10)23-2)5-9(7-15)12(18)16-13(19)17-14(20)21/h3-6H,1-2H3,(H,20,21)(H2,16,17,18,19)/b9-5+