[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-pentoxybenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-pentoxybenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H22N2O4/c1-3-4-5-10-23-15-8-6-14(7-9-15)18(22)24-12-17(21)16(11-19)13(2)20/h6-9H,3-5,10,12,20H2,1-2H3/b16-13+