3-ethanoyl-8-prop-2-enyl-chromen-2-one; ethyl 4-azanylbenzoate

Systemtic Name: 3-ethanoyl-8-prop-2-enyl-chromen-2-one; ethyl 4-azanylbenzoate Openeye Name: 3-acetyl-8-allyl-chromen-2-one; ethyl 4-aminobenzoate CAS Name: 3-acetyl-8-prop-2-enyl-1-benzopyran-2-one; 4-aminobenzoic acid ethyl ester IUPAC Name: 3-acetyl-8-prop-2-enylchromen-2-one; ethyl 4-aminobenzoate Traditional Name: 3-acetyl-8-allyl-coumarin; 4-aminobenzoic acid ethyl ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N.CC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O

InChI

InChI=1S/C14H12O3.C9H11NO2/c1-3-5-10-6-4-7-11-8-12(9(2)15)14(16)17-13(10)11;1-2-12-9(11)7-3-5-8(10)6-4-7/h3-4,6-8H,1,5H2,2H3;3-6H,2,10H2,1H3