ethyl 3-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]-4-(ethylamino)benzoate

Systemtic Name: ethyl 3-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]-4-(ethylamino)benzoate Openeye Name: ethyl 3-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]amino]-4-(ethylamino)benzoate CAS Name: 3-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-4-(ethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-4-(ethylamino)benzoate Traditional Name: 3-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]amino]-4-(ethylamino)benzoic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C17H21N3O4/c1-4-19-14-8-7-12(16(21)23-5-2)9-15(14)20-11-13(10-18)17(22)24-6-3/h7-9,11,19-20H,4-6H2,1-3H3/b13-11+