[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pentanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pentanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pentanoate CAS Name: pentanoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] pentanoate Traditional Name: valeric acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)N)OC

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C16H18N2O4/c1-3-4-5-15(19)22-13-7-6-11(9-14(13)21-2)8-12(10-17)16(18)20/h6-9H,3-5H2,1-2H3,(H2,18,20)/b12-8+