3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-(5-nitroindolin-1-yl)ethyl]-1,2,3-benzotriazin-4-one Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N5O4/c23-16(10-21-17(24)13-3-1-2-4-14(13)18-19-21)20-8-7-11-9-12(22(25)26)5-6-15(11)20/h1-6,9H,7-8,10H2