2-[5-morpholin-4-yl-6-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid

Systemtic Name: 2-[5-morpholin-4-yl-6-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid Openeye Name: 2-(5-morpholino-6-nitro-1,3-dioxo-isoindolin-2-yl)acetic acid CAS Name: 2-[5-(4-morpholinyl)-6-nitro-1,3-dioxo-2-isoindolyl]acetic acid IUPAC Name: 2-(5-morpholin-4-yl-6-nitro-1,3-dioxoisoindol-2-yl)acetic acid Traditional Name: 2-(1,3-diketo-5-morpholino-6-nitro-isoindolin-2-yl)acetic acid Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C(=C2)C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C3C(=C2)C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O7/c18-12(19)7-16-13(20)8-5-10(15-1-3-24-4-2-15)11(17(22)23)6-9(8)14(16)21/h5-6H,1-4,7H2,(H,18,19)