(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c25-18-14-5-1-2-6-15(14)20-21-23(18)12-29-19(26)13-7-8-16(17(11-13)24(27)28)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2