2-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-azanylbenzoate

Systemtic Name: 2-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-azanylbenzoate Openeye Name: 2-(5-amino-1,3-dioxo-isoindolin-2-yl)ethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 2-(5-amino-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(5-amino-1,3-dioxoisoindol-2-yl)ethyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 2-(5-amino-1,3-diketo-isoindolin-2-yl)ethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)N)N

InChI

InChI=1S/C17H15N3O4/c18-11-3-1-10(2-4-11)17(23)24-8-7-20-15(21)13-6-5-12(19)9-14(13)16(20)22/h1-6,9H,7-8,18-19H2