N-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]-4-nitro-pyrazole-1-carboxamide

Systemtic Name: N-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]-4-nitro-pyrazole-1-carboxamide Openeye Name: N-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]-4-nitro-pyrazole-1-carboxamide CAS Name: N-[(E)-2-cyano-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-4-nitro-1-pyrazolecarboxamide IUPAC Name: N-[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]-4-nitropyrazole-1-carboxamide Traditional Name: N-[(E)-2-cyano-3-(4-methoxyphenyl)acryloyl]-4-nitro-pyrazole-1-carboxamide Formula: C15H11N5O5 MolecularWeight: 341.27834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)NC(=O)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC(=O)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O5/c1-25-13-4-2-10(3-5-13)6-11(7-16)14(21)18-15(22)19-9-12(8-17-19)20(23)24/h2-6,8-9H,1H3,(H,18,21,22)/b11-6+