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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-propan-2-ylbenzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C21H20N2O4/c1-13(2)15-5-7-16(8-6-15)21(25)27-18-9-4-14(11-19(18)26-3)10-17(12-22)20(23)24/h4-11,13H,1-3H3,(H2,23,24)/b17-10+