(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H22N4O4/c27-20(11-14-26-22(29)18-5-1-2-6-19(18)23-24-26)30-15-16-7-9-17(10-8-16)21(28)25-12-3-4-13-25/h1-2,5-10H,3-4,11-15H2