3-ethanoylchromen-2-one; ethyl 4-azanylbenzoate

Systemtic Name: 3-ethanoylchromen-2-one; ethyl 4-azanylbenzoate Openeye Name: 3-acetylchromen-2-one; ethyl 4-aminobenzoate CAS Name: 3-acetyl-1-benzopyran-2-one; 4-aminobenzoic acid ethyl ester IUPAC Name: 3-acetylchromen-2-one; ethyl 4-aminobenzoate Traditional Name: 3-acetylcoumarin; 4-aminobenzoic acid ethyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C11H8O3.C9H11NO2/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13;1-2-12-9(11)7-3-5-8(10)6-4-7/h2-6H,1H3;3-6H,2,10H2,1H3