(3S)-3-[(5-nitropyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(5-nitropyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(5-nitropyridin-1-ium-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(5-nitro-2-pyridin-1-iumyl)amino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(5-nitropyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(5-nitropyridin-1-ium-2-yl)amino]phthalide Formula: C13H10N3O4+ MolecularWeight: 272.2362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](OC2=O)NC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4/c17-13-10-4-2-1-3-9(10)12(20-13)15-11-6-5-8(7-14-11)16(18)19/h1-7,12H,(H,14,15)/p+1/t12-/m0/s1