2-[4-[(E)-3-[3-(aminomethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-(carboxycarbonyl)phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[(E)-3-[3-(aminomethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-(carboxycarbonyl)phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[(E)-3-[3-(aminomethyl)phenyl]-3-oxo-prop-1-enyl]-2-oxalo-phenyl]-2-oxo-acetic acid CAS Name: 2-[4-[(E)-3-[3-(aminomethyl)phenyl]-3-oxoprop-1-enyl]-2-oxalophenyl]-2-oxoacetic acid IUPAC Name: 2-[4-[(E)-3-[3-(aminomethyl)phenyl]-3-oxoprop-1-enyl]-2-oxalophenyl]-2-oxoacetic acid Traditional Name: 2-[4-[(E)-3-[3-(aminomethyl)phenyl]-3-keto-prop-1-enyl]-2-oxalo-phenyl]-2-keto-acetic acid Formula: C20H15NO7 MolecularWeight: 381.3356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN)C(=O)C=CC2=CC(=C(C=C2)C(=O)C(=O)O)C(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN)C(=O)/C=C/C2=CC(=C(C=C2)C(=O)C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C20H15NO7/c21-10-12-2-1-3-13(8-12)16(22)7-5-11-4-6-14(17(23)19(25)26)15(9-11)18(24)20(27)28/h1-9H,10,21H2,(H,25,26)(H,27,28)/b7-5+