7-(aminomethylamino)chromen-2-one; ethanoyl 4-acetyloxy-4-azanylidene-butanoate

Systemtic Name: 7-(aminomethylamino)chromen-2-one; ethanoyl 4-acetyloxy-4-azanylidene-butanoate Openeye Name: acetyl 4-acetoxy-4-imino-butanoate; 7-(aminomethylamino)chromen-2-one CAS Name: 4-acetyloxy-4-iminobutanoic acid acetyl ester; 7-(aminomethylamino)-1-benzopyran-2-one IUPAC Name: acetyl 4-acetyloxy-4-iminobutanoate; 7-(aminomethylamino)chromen-2-one Traditional Name: 4-acetoxy-4-imino-butyric acid acetyl ester; 7-(aminomethylamino)coumarin Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=N)CCC(=O)OC(=O)C.C1=CC(=CC2=C1C=CC(=O)O2)NCN

Isomeric SMILES

CC(=O)OC(=N)CCC(=O)OC(=O)C.C1=CC(=CC2=C1C=CC(=O)O2)NCN

InChI

InChI=1S/C10H10N2O2.C8H11NO5/c11-6-12-8-3-1-7-2-4-10(13)14-9(7)5-8;1-5(10)13-7(9)3-4-8(12)14-6(2)11/h1-5,12H,6,11H2;9H,3-4H2,1-2H3